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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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/R1212-019bfcef/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/R1212-019bfcef/inputs/seq.fa: 1
curr_seq: _AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AAAAAUAGUCUAAUAAAAUCAGGGGUACAUUCCGCUAGUACUCCACCCUACGGGUUAAGCAAAUGAGAAUAUCGAAACGGUAUGCACAGGAUUCUUCGAGUGAUAAUCUUAGGAUGACUCACUAAGGAGAUGACUAAAGUGUAUCAUUCAAUAUUGUAUUGAACGGUAUUCUUCCAUAGAGAGUUGAUUUUUGGAGUAUCCAAAAAUAUCAACUUUUUAUGAGCGGGCAGCCACCUCCUUGUUAUUG
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 247 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: 1240
n_atoms_counter: 1240
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 247.000000 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: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -981.792804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.792804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.792804 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -961.278512
where:
bonds (distance) C4'-P energy: -239.980
bonds (distance) P-C4' energy: -221.874
flat angles C4'-P-C4' energy: -181.354
flat angles P-C4'-P energy: -207.449
tors. eta vs tors. theta energy: -110.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -1143.732829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.732829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.732829 (E_RNA)
where:
Base-Base interactions energy: -444.748
where: short stacking energy: -433.366
Base-Backbone interact. energy: -0.101
local terms energy: -698.883573
where:
bonds (distance) C4'-P energy: -162.360
bonds (distance) P-C4' energy: -163.986
flat angles C4'-P-C4' energy: -160.643
flat angles P-C4'-P energy: -91.823
tors. eta vs tors. theta energy: -120.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -1080.901916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.901916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.901916 (E_RNA)
where:
Base-Base interactions energy: -421.921
where: short stacking energy: -421.921
Base-Backbone interact. energy: -0.099
local terms energy: -658.881905
where:
bonds (distance) C4'-P energy: -154.569
bonds (distance) P-C4' energy: -151.864
flat angles C4'-P-C4' energy: -153.283
flat angles P-C4'-P energy: -99.007
tors. eta vs tors. theta energy: -100.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -1025.584150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.584150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.584150 (E_RNA)
where:
Base-Base interactions energy: -314.364
where: short stacking energy: -314.364
Base-Backbone interact. energy: -0.002
local terms energy: -711.217769
where:
bonds (distance) C4'-P energy: -156.448
bonds (distance) P-C4' energy: -156.366
flat angles C4'-P-C4' energy: -156.211
flat angles P-C4'-P energy: -138.114
tors. eta vs tors. theta energy: -104.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -987.684317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.684317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.684317 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -42.034
Base-Backbone interact. energy: -0.000
local terms energy: -945.650518
where:
bonds (distance) C4'-P energy: -227.808
bonds (distance) P-C4' energy: -215.411
flat angles C4'-P-C4' energy: -181.866
flat angles P-C4'-P energy: -205.179
tors. eta vs tors. theta energy: -115.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -981.452648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.452648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.452648 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -960.938356
where:
bonds (distance) C4'-P energy: -239.864
bonds (distance) P-C4' energy: -221.867
flat angles C4'-P-C4' energy: -181.057
flat angles P-C4'-P energy: -207.375
tors. eta vs tors. theta energy: -110.776
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -988.498867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.498867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.498867 (E_RNA)
where:
Base-Base interactions energy: -152.713
where: short stacking energy: -152.713
Base-Backbone interact. energy: -0.000
local terms energy: -835.785649
where:
bonds (distance) C4'-P energy: -170.468
bonds (distance) P-C4' energy: -178.551
flat angles C4'-P-C4' energy: -178.695
flat angles P-C4'-P energy: -186.422
tors. eta vs tors. theta energy: -121.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -981.201737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.201737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.201737 (E_RNA)
where:
Base-Base interactions energy: -20.514
where: short stacking energy: -20.514
Base-Backbone interact. energy: -0.000
local terms energy: -960.687445
where:
bonds (distance) C4'-P energy: -239.864
bonds (distance) P-C4' energy: -221.867
flat angles C4'-P-C4' energy: -180.769
flat angles P-C4'-P energy: -207.412
tors. eta vs tors. theta energy: -110.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -987.257225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.257225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.257225 (E_RNA)
where:
Base-Base interactions energy: -65.480
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.000
local terms energy: -921.776576
where:
bonds (distance) C4'-P energy: -217.125
bonds (distance) P-C4' energy: -200.732
flat angles C4'-P-C4' energy: -183.432
flat angles P-C4'-P energy: -202.036
tors. eta vs tors. theta energy: -118.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -982.555266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.555266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.555266 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -42.608
Base-Backbone interact. energy: -0.000
local terms energy: -939.947000
where:
bonds (distance) C4'-P energy: -225.872
bonds (distance) P-C4' energy: -211.585
flat angles C4'-P-C4' energy: -182.527
flat angles P-C4'-P energy: -204.762
tors. eta vs tors. theta energy: -115.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -982.744899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.744899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.744899 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.000
local terms energy: -938.768309
where:
bonds (distance) C4'-P energy: -226.281
bonds (distance) P-C4' energy: -211.592
flat angles C4'-P-C4' energy: -182.491
flat angles P-C4'-P energy: -204.742
tors. eta vs tors. theta energy: -113.661
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: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1217.991067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.991067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.991067 (E_RNA)
where:
Base-Base interactions energy: -492.447
where: short stacking energy: -490.624
Base-Backbone interact. energy: -1.764
local terms energy: -723.780117
where:
bonds (distance) C4'-P energy: -160.972
bonds (distance) P-C4' energy: -163.071
flat angles C4'-P-C4' energy: -157.602
flat angles P-C4'-P energy: -106.427
tors. eta vs tors. theta energy: -135.707
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: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1133.683070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.683070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.683070 (E_RNA)
where:
Base-Base interactions energy: -486.423
where: short stacking energy: -461.380
Base-Backbone interact. energy: -1.895
local terms energy: -645.364897
where:
bonds (distance) C4'-P energy: -149.727
bonds (distance) P-C4' energy: -140.331
flat angles C4'-P-C4' energy: -149.439
flat angles P-C4'-P energy: -99.734
tors. eta vs tors. theta energy: -106.133
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -1052.460841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.460841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.460841 (E_RNA)
where:
Base-Base interactions energy: -424.978
where: short stacking energy: -396.927
Base-Backbone interact. energy: -1.090
local terms energy: -626.393059
where:
bonds (distance) C4'-P energy: -143.773
bonds (distance) P-C4' energy: -154.912
flat angles C4'-P-C4' energy: -158.782
flat angles P-C4'-P energy: -84.749
tors. eta vs tors. theta energy: -84.177
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -970.439168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.439168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.439168 (E_RNA)
where:
Base-Base interactions energy: -378.505
where: short stacking energy: -360.869
Base-Backbone interact. energy: -0.588
local terms energy: -591.345390
where:
bonds (distance) C4'-P energy: -153.381
bonds (distance) P-C4' energy: -138.762
flat angles C4'-P-C4' energy: -135.609
flat angles P-C4'-P energy: -86.844
tors. eta vs tors. theta energy: -76.749
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: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -859.845023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.845023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.845023 (E_RNA)
where:
Base-Base interactions energy: -335.350
where: short stacking energy: -317.662
Base-Backbone interact. energy: -1.558
local terms energy: -522.936959
where:
bonds (distance) C4'-P energy: -131.728
bonds (distance) P-C4' energy: -144.001
flat angles C4'-P-C4' energy: -122.678
flat angles P-C4'-P energy: -82.744
tors. eta vs tors. theta energy: -41.786
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: 3
Temperature: 1.150000
Total energy: -789.881278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.881278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.881278 (E_RNA)
where:
Base-Base interactions energy: -281.778
where: short stacking energy: -260.756
Base-Backbone interact. energy: 0.639
local terms energy: -508.742210
where:
bonds (distance) C4'-P energy: -122.286
bonds (distance) P-C4' energy: -139.004
flat angles C4'-P-C4' energy: -135.664
flat angles P-C4'-P energy: -83.306
tors. eta vs tors. theta energy: -28.482
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: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -691.849638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.849638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.849638 (E_RNA)
where:
Base-Base interactions energy: -241.964
where: short stacking energy: -211.692
Base-Backbone interact. energy: 1.255
local terms energy: -451.141508
where:
bonds (distance) C4'-P energy: -128.334
bonds (distance) P-C4' energy: -128.205
flat angles C4'-P-C4' energy: -121.886
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: -11.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -672.974000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.974000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.974000 (E_RNA)
where:
Base-Base interactions energy: -245.174
where: short stacking energy: -213.518
Base-Backbone interact. energy: -1.754
local terms energy: -426.046299
where:
bonds (distance) C4'-P energy: -117.030
bonds (distance) P-C4' energy: -124.897
flat angles C4'-P-C4' energy: -111.224
flat angles P-C4'-P energy: -62.738
tors. eta vs tors. theta energy: -10.157
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: 3
Temperature: 1.300000
Total energy: -658.429003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.429003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.429003 (E_RNA)
where:
Base-Base interactions energy: -208.164
where: short stacking energy: -182.689
Base-Backbone interact. energy: 9.910
local terms energy: -460.175003
where:
bonds (distance) C4'-P energy: -123.775
bonds (distance) P-C4' energy: -140.041
flat angles C4'-P-C4' energy: -119.100
flat angles P-C4'-P energy: -73.709
tors. eta vs tors. theta energy: -3.549
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -564.270267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.270267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.270267 (E_RNA)
where:
Base-Base interactions energy: -181.317
where: short stacking energy: -161.086
Base-Backbone interact. energy: 0.595
local terms energy: -383.548030
where:
bonds (distance) C4'-P energy: -102.391
bonds (distance) P-C4' energy: -119.517
flat angles C4'-P-C4' energy: -104.764
flat angles P-C4'-P energy: -63.972
tors. eta vs tors. theta energy: 7.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1243.175456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.175456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.175456 (E_RNA)
where:
Base-Base interactions energy: -545.366
where: short stacking energy: -512.614
Base-Backbone interact. energy: -0.301
local terms energy: -697.507709
where:
bonds (distance) C4'-P energy: -150.221
bonds (distance) P-C4' energy: -155.317
flat angles C4'-P-C4' energy: -161.614
flat angles P-C4'-P energy: -87.622
tors. eta vs tors. theta energy: -142.734
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: 2
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1079.055833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.055833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.055833 (E_RNA)
where:
Base-Base interactions energy: -445.899
where: short stacking energy: -437.922
Base-Backbone interact. energy: -1.068
local terms energy: -632.088984
where:
bonds (distance) C4'-P energy: -151.030
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -148.823
flat angles P-C4'-P energy: -101.192
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: 3, replica: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1109.728610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.728610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.728610 (E_RNA)
where:
Base-Base interactions energy: -492.830
where: short stacking energy: -400.855
Base-Backbone interact. energy: 1.003
local terms energy: -617.902219
where:
bonds (distance) C4'-P energy: -136.865
bonds (distance) P-C4' energy: -145.513
flat angles C4'-P-C4' energy: -148.238
flat angles P-C4'-P energy: -92.908
tors. eta vs tors. theta energy: -94.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -945.180095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.180095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.180095 (E_RNA)
where:
Base-Base interactions energy: -377.626
where: short stacking energy: -335.190
Base-Backbone interact. energy: 2.399
local terms energy: -569.953691
where:
bonds (distance) C4'-P energy: -139.632
bonds (distance) P-C4' energy: -146.427
flat angles C4'-P-C4' energy: -136.804
flat angles P-C4'-P energy: -79.839
tors. eta vs tors. theta energy: -67.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -847.937924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.937924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.937924 (E_RNA)
where:
Base-Base interactions energy: -317.586
where: short stacking energy: -295.609
Base-Backbone interact. energy: -0.575
local terms energy: -529.777274
where:
bonds (distance) C4'-P energy: -139.770
bonds (distance) P-C4' energy: -156.612
flat angles C4'-P-C4' energy: -127.240
flat angles P-C4'-P energy: -77.797
tors. eta vs tors. theta energy: -28.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -783.154674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.154674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.154674 (E_RNA)
where:
Base-Base interactions energy: -311.342
where: short stacking energy: -265.191
Base-Backbone interact. energy: 12.737
local terms energy: -484.549658
where:
bonds (distance) C4'-P energy: -123.856
bonds (distance) P-C4' energy: -142.286
flat angles C4'-P-C4' energy: -128.760
flat angles P-C4'-P energy: -68.889
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -730.896239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.896239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.896239 (E_RNA)
where:
Base-Base interactions energy: -266.102
where: short stacking energy: -225.438
Base-Backbone interact. energy: 6.658
local terms energy: -471.452835
where:
bonds (distance) C4'-P energy: -127.921
bonds (distance) P-C4' energy: -131.089
flat angles C4'-P-C4' energy: -123.010
flat angles P-C4'-P energy: -74.529
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -647.142901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.142901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.142901 (E_RNA)
where:
Base-Base interactions energy: -229.819
where: short stacking energy: -182.627
Base-Backbone interact. energy: -3.730
local terms energy: -413.593617
where:
bonds (distance) C4'-P energy: -116.497
bonds (distance) P-C4' energy: -134.187
flat angles C4'-P-C4' energy: -113.385
flat angles P-C4'-P energy: -71.025
tors. eta vs tors. theta energy: 21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -608.089616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.089616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.089616 (E_RNA)
where:
Base-Base interactions energy: -209.058
where: short stacking energy: -168.309
Base-Backbone interact. energy: 5.067
local terms energy: -404.097961
where:
bonds (distance) C4'-P energy: -115.080
bonds (distance) P-C4' energy: -131.975
flat angles C4'-P-C4' energy: -101.314
flat angles P-C4'-P energy: -75.837
tors. eta vs tors. theta energy: 20.107
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: 4
Temperature: 1.350000
Total energy: -549.296081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.296081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.296081 (E_RNA)
where:
Base-Base interactions energy: -172.037
where: short stacking energy: -164.974
Base-Backbone interact. energy: -1.782
local terms energy: -375.476473
where:
bonds (distance) C4'-P energy: -125.223
bonds (distance) P-C4' energy: -104.926
flat angles C4'-P-C4' energy: -113.742
flat angles P-C4'-P energy: -58.133
tors. eta vs tors. theta energy: 26.549
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1259.373240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.373240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.373240 (E_RNA)
where:
Base-Base interactions energy: -560.109
where: short stacking energy: -476.313
Base-Backbone interact. energy: -2.044
local terms energy: -697.219831
where:
bonds (distance) C4'-P energy: -151.653
bonds (distance) P-C4' energy: -148.437
flat angles C4'-P-C4' energy: -159.839
flat angles P-C4'-P energy: -113.626
tors. eta vs tors. theta energy: -123.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1307.758034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.758034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.758034 (E_RNA)
where:
Base-Base interactions energy: -702.044
where: short stacking energy: -476.513
Base-Backbone interact. energy: 2.743
local terms energy: -608.457119
where:
bonds (distance) C4'-P energy: -140.551
bonds (distance) P-C4' energy: -143.459
flat angles C4'-P-C4' energy: -145.796
flat angles P-C4'-P energy: -91.966
tors. eta vs tors. theta energy: -86.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1048.930165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.930165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.930165 (E_RNA)
where:
Base-Base interactions energy: -428.487
where: short stacking energy: -396.258
Base-Backbone interact. energy: 0.619
local terms energy: -621.062466
where:
bonds (distance) C4'-P energy: -141.920
bonds (distance) P-C4' energy: -158.911
flat angles C4'-P-C4' energy: -134.157
flat angles P-C4'-P energy: -94.283
tors. eta vs tors. theta energy: -91.792
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -989.147147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.147147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.147147 (E_RNA)
where:
Base-Base interactions energy: -419.556
where: short stacking energy: -342.282
Base-Backbone interact. energy: 2.010
local terms energy: -571.600869
where:
bonds (distance) C4'-P energy: -132.742
bonds (distance) P-C4' energy: -149.310
flat angles C4'-P-C4' energy: -140.933
flat angles P-C4'-P energy: -86.021
tors. eta vs tors. theta energy: -62.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -890.596103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.596103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.596103 (E_RNA)
where:
Base-Base interactions energy: -350.987
where: short stacking energy: -302.649
Base-Backbone interact. energy: -2.518
local terms energy: -537.090820
where:
bonds (distance) C4'-P energy: -131.761
bonds (distance) P-C4' energy: -129.022
flat angles C4'-P-C4' energy: -142.804
flat angles P-C4'-P energy: -85.046
tors. eta vs tors. theta energy: -48.458
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: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -776.500274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.500274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.500274 (E_RNA)
where:
Base-Base interactions energy: -282.321
where: short stacking energy: -248.365
Base-Backbone interact. energy: -1.472
local terms energy: -492.707203
where:
bonds (distance) C4'-P energy: -119.984
bonds (distance) P-C4' energy: -139.527
flat angles C4'-P-C4' energy: -123.084
flat angles P-C4'-P energy: -85.548
tors. eta vs tors. theta energy: -24.565
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: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -732.540588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.540588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.540588 (E_RNA)
where:
Base-Base interactions energy: -249.743
where: short stacking energy: -213.522
Base-Backbone interact. energy: 1.762
local terms energy: -484.558744
where:
bonds (distance) C4'-P energy: -139.919
bonds (distance) P-C4' energy: -136.005
flat angles C4'-P-C4' energy: -128.742
flat angles P-C4'-P energy: -74.225
tors. eta vs tors. theta energy: -5.668
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: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -721.279886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.279886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.279886 (E_RNA)
where:
Base-Base interactions energy: -279.636
where: short stacking energy: -188.329
Base-Backbone interact. energy: 4.138
local terms energy: -445.781209
where:
bonds (distance) C4'-P energy: -125.501
bonds (distance) P-C4' energy: -131.740
flat angles C4'-P-C4' energy: -123.988
flat angles P-C4'-P energy: -71.525
tors. eta vs tors. theta energy: 6.972
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: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -612.275786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.275786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.275786 (E_RNA)
where:
Base-Base interactions energy: -188.520
where: short stacking energy: -172.056
Base-Backbone interact. energy: 0.430
local terms energy: -424.185810
where:
bonds (distance) C4'-P energy: -134.703
bonds (distance) P-C4' energy: -143.935
flat angles C4'-P-C4' energy: -106.102
flat angles P-C4'-P energy: -72.800
tors. eta vs tors. theta energy: 33.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -557.630096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.630096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.630096 (E_RNA)
where:
Base-Base interactions energy: -165.526
where: short stacking energy: -138.190
Base-Backbone interact. energy: 5.848
local terms energy: -397.951987
where:
bonds (distance) C4'-P energy: -136.176
bonds (distance) P-C4' energy: -121.325
flat angles C4'-P-C4' energy: -109.510
flat angles P-C4'-P energy: -62.167
tors. eta vs tors. theta energy: 31.227
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: 6
Temperature: 0.900000
Total energy: -1459.175170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.175170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.175170 (E_RNA)
where:
Base-Base interactions energy: -772.643
where: short stacking energy: -506.140
Base-Backbone interact. energy: 1.422
local terms energy: -687.953423
where:
bonds (distance) C4'-P energy: -149.705
bonds (distance) P-C4' energy: -159.834
flat angles C4'-P-C4' energy: -144.826
flat angles P-C4'-P energy: -98.084
tors. eta vs tors. theta energy: -135.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1252.529410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.529410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.529410 (E_RNA)
where:
Base-Base interactions energy: -584.842
where: short stacking energy: -495.053
Base-Backbone interact. energy: -1.005
local terms energy: -666.682240
where:
bonds (distance) C4'-P energy: -133.501
bonds (distance) P-C4' energy: -150.904
flat angles C4'-P-C4' energy: -158.083
flat angles P-C4'-P energy: -109.732
tors. eta vs tors. theta energy: -114.462
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: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1085.743632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.743632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.743632 (E_RNA)
where:
Base-Base interactions energy: -496.006
where: short stacking energy: -381.322
Base-Backbone interact. energy: 3.939
local terms energy: -593.676659
where:
bonds (distance) C4'-P energy: -158.032
bonds (distance) P-C4' energy: -161.558
flat angles C4'-P-C4' energy: -143.797
flat angles P-C4'-P energy: -67.767
tors. eta vs tors. theta energy: -62.523
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -969.391246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.391246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.391246 (E_RNA)
where:
Base-Base interactions energy: -418.159
where: short stacking energy: -327.981
Base-Backbone interact. energy: -1.576
local terms energy: -549.656461
where:
bonds (distance) C4'-P energy: -134.906
bonds (distance) P-C4' energy: -141.529
flat angles C4'-P-C4' energy: -123.762
flat angles P-C4'-P energy: -108.044
tors. eta vs tors. theta energy: -41.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -931.648976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.648976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.648976 (E_RNA)
where:
Base-Base interactions energy: -392.719
where: short stacking energy: -325.871
Base-Backbone interact. energy: -1.034
local terms energy: -537.896425
where:
bonds (distance) C4'-P energy: -146.027
bonds (distance) P-C4' energy: -135.975
flat angles C4'-P-C4' energy: -121.015
flat angles P-C4'-P energy: -70.894
tors. eta vs tors. theta energy: -63.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -897.055497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.055497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.055497 (E_RNA)
where:
Base-Base interactions energy: -404.558
where: short stacking energy: -286.442
Base-Backbone interact. energy: 3.382
local terms energy: -495.878938
where:
bonds (distance) C4'-P energy: -137.066
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -128.441
flat angles P-C4'-P energy: -60.744
tors. eta vs tors. theta energy: -29.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -783.341595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.341595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.341595 (E_RNA)
where:
Base-Base interactions energy: -324.047
where: short stacking energy: -231.316
Base-Backbone interact. energy: 2.945
local terms energy: -462.240242
where:
bonds (distance) C4'-P energy: -125.559
bonds (distance) P-C4' energy: -150.297
flat angles C4'-P-C4' energy: -130.600
flat angles P-C4'-P energy: -65.915
tors. eta vs tors. theta energy: 10.131
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -675.456533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.456533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.456533 (E_RNA)
where:
Base-Base interactions energy: -247.738
where: short stacking energy: -191.187
Base-Backbone interact. energy: -1.447
local terms energy: -426.271397
where:
bonds (distance) C4'-P energy: -124.544
bonds (distance) P-C4' energy: -122.214
flat angles C4'-P-C4' energy: -121.106
flat angles P-C4'-P energy: -59.698
tors. eta vs tors. theta energy: 1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -618.150343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.150343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.150343 (E_RNA)
where:
Base-Base interactions energy: -231.649
where: short stacking energy: -187.000
Base-Backbone interact. energy: -0.726
local terms energy: -385.776002
where:
bonds (distance) C4'-P energy: -124.210
bonds (distance) P-C4' energy: -116.282
flat angles C4'-P-C4' energy: -110.452
flat angles P-C4'-P energy: -54.161
tors. eta vs tors. theta energy: 19.329
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: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -553.735913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.735913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.735913 (E_RNA)
where:
Base-Base interactions energy: -164.659
where: short stacking energy: -127.467
Base-Backbone interact. energy: 6.012
local terms energy: -395.088199
where:
bonds (distance) C4'-P energy: -128.802
bonds (distance) P-C4' energy: -126.547
flat angles C4'-P-C4' energy: -97.524
flat angles P-C4'-P energy: -61.554
tors. eta vs tors. theta energy: 19.339
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: 7
Temperature: 0.900000
Total energy: -1553.954546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.954546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.954546 (E_RNA)
where:
Base-Base interactions energy: -843.119
where: short stacking energy: -571.413
Base-Backbone interact. energy: -1.710
local terms energy: -709.125952
where:
bonds (distance) C4'-P energy: -162.963
bonds (distance) P-C4' energy: -147.929
flat angles C4'-P-C4' energy: -163.528
flat angles P-C4'-P energy: -101.585
tors. eta vs tors. theta energy: -133.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1271.643544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.643544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.643544 (E_RNA)
where:
Base-Base interactions energy: -598.531
where: short stacking energy: -474.655
Base-Backbone interact. energy: -2.956
local terms energy: -670.156526
where:
bonds (distance) C4'-P energy: -148.987
bonds (distance) P-C4' energy: -160.828
flat angles C4'-P-C4' energy: -155.350
flat angles P-C4'-P energy: -99.372
tors. eta vs tors. theta energy: -105.619
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: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1127.938315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.938315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.938315 (E_RNA)
where:
Base-Base interactions energy: -527.302
where: short stacking energy: -412.290
Base-Backbone interact. energy: 0.519
local terms energy: -601.155076
where:
bonds (distance) C4'-P energy: -136.284
bonds (distance) P-C4' energy: -153.251
flat angles C4'-P-C4' energy: -134.859
flat angles P-C4'-P energy: -91.780
tors. eta vs tors. theta energy: -84.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1035.694170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.694170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.694170 (E_RNA)
where:
Base-Base interactions energy: -453.636
where: short stacking energy: -354.918
Base-Backbone interact. energy: 0.429
local terms energy: -582.487384
where:
bonds (distance) C4'-P energy: -141.835
bonds (distance) P-C4' energy: -143.085
flat angles C4'-P-C4' energy: -147.983
flat angles P-C4'-P energy: -85.547
tors. eta vs tors. theta energy: -64.038
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: 5, replica: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -908.496087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.496087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.496087 (E_RNA)
where:
Base-Base interactions energy: -401.309
where: short stacking energy: -308.614
Base-Backbone interact. energy: -2.607
local terms energy: -504.580319
where:
bonds (distance) C4'-P energy: -120.877
bonds (distance) P-C4' energy: -133.204
flat angles C4'-P-C4' energy: -126.731
flat angles P-C4'-P energy: -82.043
tors. eta vs tors. theta energy: -41.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -986.993665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.993665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.993665 (E_RNA)
where:
Base-Base interactions energy: -477.994
where: short stacking energy: -313.655
Base-Backbone interact. energy: -4.241
local terms energy: -504.759050
where:
bonds (distance) C4'-P energy: -110.461
bonds (distance) P-C4' energy: -113.521
flat angles C4'-P-C4' energy: -144.004
flat angles P-C4'-P energy: -88.508
tors. eta vs tors. theta energy: -48.265
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: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -826.614786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.614786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.614786 (E_RNA)
where:
Base-Base interactions energy: -338.198
where: short stacking energy: -235.408
Base-Backbone interact. energy: 1.761
local terms energy: -490.177624
where:
bonds (distance) C4'-P energy: -135.158
bonds (distance) P-C4' energy: -138.272
flat angles C4'-P-C4' energy: -122.776
flat angles P-C4'-P energy: -72.127
tors. eta vs tors. theta energy: -21.846
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: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -665.182856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.182856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.182856 (E_RNA)
where:
Base-Base interactions energy: -235.460
where: short stacking energy: -192.167
Base-Backbone interact. energy: 2.675
local terms energy: -432.398130
where:
bonds (distance) C4'-P energy: -127.259
bonds (distance) P-C4' energy: -128.358
flat angles C4'-P-C4' energy: -110.891
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: 7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -623.868628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.868628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.868628 (E_RNA)
where:
Base-Base interactions energy: -194.300
where: short stacking energy: -156.560
Base-Backbone interact. energy: -1.053
local terms energy: -428.515579
where:
bonds (distance) C4'-P energy: -136.944
bonds (distance) P-C4' energy: -137.268
flat angles C4'-P-C4' energy: -127.042
flat angles P-C4'-P energy: -66.670
tors. eta vs tors. theta energy: 39.409
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: 7
Temperature: 1.350000
Total energy: -596.196914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.196914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.196914 (E_RNA)
where:
Base-Base interactions energy: -206.636
where: short stacking energy: -168.136
Base-Backbone interact. energy: 3.970
local terms energy: -393.530368
where:
bonds (distance) C4'-P energy: -136.942
bonds (distance) P-C4' energy: -114.292
flat angles C4'-P-C4' energy: -104.918
flat angles P-C4'-P energy: -62.225
tors. eta vs tors. theta energy: 24.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1601.898009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.898009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.898009 (E_RNA)
where:
Base-Base interactions energy: -892.305
where: short stacking energy: -522.958
Base-Backbone interact. energy: -1.930
local terms energy: -707.663069
where:
bonds (distance) C4'-P energy: -155.963
bonds (distance) P-C4' energy: -151.245
flat angles C4'-P-C4' energy: -154.383
flat angles P-C4'-P energy: -108.217
tors. eta vs tors. theta energy: -137.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1305.409606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.409606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.409606 (E_RNA)
where:
Base-Base interactions energy: -647.899
where: short stacking energy: -460.805
Base-Backbone interact. energy: 0.259
local terms energy: -657.769686
where:
bonds (distance) C4'-P energy: -136.797
bonds (distance) P-C4' energy: -167.229
flat angles C4'-P-C4' energy: -143.746
flat angles P-C4'-P energy: -98.333
tors. eta vs tors. theta energy: -111.665
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: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1197.433011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.433011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.433011 (E_RNA)
where:
Base-Base interactions energy: -575.125
where: short stacking energy: -447.790
Base-Backbone interact. energy: 0.110
local terms energy: -622.418700
where:
bonds (distance) C4'-P energy: -138.952
bonds (distance) P-C4' energy: -152.007
flat angles C4'-P-C4' energy: -147.589
flat angles P-C4'-P energy: -88.927
tors. eta vs tors. theta energy: -94.944
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: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -995.674900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.674900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.674900 (E_RNA)
where:
Base-Base interactions energy: -428.954
where: short stacking energy: -333.811
Base-Backbone interact. energy: -3.332
local terms energy: -563.389363
where:
bonds (distance) C4'-P energy: -138.242
bonds (distance) P-C4' energy: -143.478
flat angles C4'-P-C4' energy: -130.859
flat angles P-C4'-P energy: -91.221
tors. eta vs tors. theta energy: -59.590
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: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1102.465158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.465158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.465158 (E_RNA)
where:
Base-Base interactions energy: -563.635
where: short stacking energy: -341.038
Base-Backbone interact. energy: -0.434
local terms energy: -538.396299
where:
bonds (distance) C4'-P energy: -130.402
bonds (distance) P-C4' energy: -139.852
flat angles C4'-P-C4' energy: -135.202
flat angles P-C4'-P energy: -88.870
tors. eta vs tors. theta energy: -44.070
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: 7
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -900.698221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.698221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.698221 (E_RNA)
where:
Base-Base interactions energy: -421.949
where: short stacking energy: -278.845
Base-Backbone interact. energy: -1.250
local terms energy: -477.499422
where:
bonds (distance) C4'-P energy: -143.880
bonds (distance) P-C4' energy: -131.822
flat angles C4'-P-C4' energy: -129.722
flat angles P-C4'-P energy: -48.898
tors. eta vs tors. theta energy: -23.177
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: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -859.522923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.522923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.522923 (E_RNA)
where:
Base-Base interactions energy: -366.273
where: short stacking energy: -269.475
Base-Backbone interact. energy: -4.097
local terms energy: -489.152151
where:
bonds (distance) C4'-P energy: -138.214
bonds (distance) P-C4' energy: -141.361
flat angles C4'-P-C4' energy: -124.155
flat angles P-C4'-P energy: -63.545
tors. eta vs tors. theta energy: -21.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -652.813979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.813979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.813979 (E_RNA)
where:
Base-Base interactions energy: -256.599
where: short stacking energy: -200.682
Base-Backbone interact. energy: -2.066
local terms energy: -394.148421
where:
bonds (distance) C4'-P energy: -113.770
bonds (distance) P-C4' energy: -126.658
flat angles C4'-P-C4' energy: -94.778
flat angles P-C4'-P energy: -74.909
tors. eta vs tors. theta energy: 15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -599.076939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.076939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.076939 (E_RNA)
where:
Base-Base interactions energy: -200.760
where: short stacking energy: -177.857
Base-Backbone interact. energy: -3.311
local terms energy: -395.005877
where:
bonds (distance) C4'-P energy: -135.409
bonds (distance) P-C4' energy: -120.211
flat angles C4'-P-C4' energy: -117.827
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: 22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -556.206826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.206826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.206826 (E_RNA)
where:
Base-Base interactions energy: -154.143
where: short stacking energy: -131.682
Base-Backbone interact. energy: 6.624
local terms energy: -408.687211
where:
bonds (distance) C4'-P energy: -135.865
bonds (distance) P-C4' energy: -130.812
flat angles C4'-P-C4' energy: -103.507
flat angles P-C4'-P energy: -67.546
tors. eta vs tors. theta energy: 29.042
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: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1615.514484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.514484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.514484 (E_RNA)
where:
Base-Base interactions energy: -899.840
where: short stacking energy: -567.189
Base-Backbone interact. energy: -2.727
local terms energy: -712.947706
where:
bonds (distance) C4'-P energy: -136.619
bonds (distance) P-C4' energy: -147.224
flat angles C4'-P-C4' energy: -168.088
flat angles P-C4'-P energy: -111.944
tors. eta vs tors. theta energy: -149.073
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1387.723845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.723845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.723845 (E_RNA)
where:
Base-Base interactions energy: -742.809
where: short stacking energy: -480.036
Base-Backbone interact. energy: -3.514
local terms energy: -641.400770
where:
bonds (distance) C4'-P energy: -153.617
bonds (distance) P-C4' energy: -145.307
flat angles C4'-P-C4' energy: -143.896
flat angles P-C4'-P energy: -96.936
tors. eta vs tors. theta energy: -101.645
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: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1232.345922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.345922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.345922 (E_RNA)
where:
Base-Base interactions energy: -640.739
where: short stacking energy: -417.679
Base-Backbone interact. energy: -0.776
local terms energy: -590.830823
where:
bonds (distance) C4'-P energy: -135.973
bonds (distance) P-C4' energy: -138.171
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -97.601
tors. eta vs tors. theta energy: -89.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1197.445435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.445435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.445435 (E_RNA)
where:
Base-Base interactions energy: -634.574
where: short stacking energy: -385.117
Base-Backbone interact. energy: 1.067
local terms energy: -563.938584
where:
bonds (distance) C4'-P energy: -149.311
bonds (distance) P-C4' energy: -130.201
flat angles C4'-P-C4' energy: -132.010
flat angles P-C4'-P energy: -84.697
tors. eta vs tors. theta energy: -67.721
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: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1041.032038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.032038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.032038 (E_RNA)
where:
Base-Base interactions energy: -508.760
where: short stacking energy: -330.976
Base-Backbone interact. energy: 2.354
local terms energy: -534.626398
where:
bonds (distance) C4'-P energy: -138.923
bonds (distance) P-C4' energy: -157.484
flat angles C4'-P-C4' energy: -119.549
flat angles P-C4'-P energy: -58.215
tors. eta vs tors. theta energy: -60.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -903.941363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.941363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.941363 (E_RNA)
where:
Base-Base interactions energy: -409.352
where: short stacking energy: -267.051
Base-Backbone interact. energy: -0.135
local terms energy: -494.454177
where:
bonds (distance) C4'-P energy: -127.944
bonds (distance) P-C4' energy: -145.964
flat angles C4'-P-C4' energy: -124.324
flat angles P-C4'-P energy: -83.794
tors. eta vs tors. theta energy: -12.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -820.927803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.927803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.927803 (E_RNA)
where:
Base-Base interactions energy: -368.616
where: short stacking energy: -238.792
Base-Backbone interact. energy: -0.246
local terms energy: -452.065591
where:
bonds (distance) C4'-P energy: -135.929
bonds (distance) P-C4' energy: -124.302
flat angles C4'-P-C4' energy: -115.402
flat angles P-C4'-P energy: -59.022
tors. eta vs tors. theta energy: -17.411
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -703.350243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.350243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.350243 (E_RNA)
where:
Base-Base interactions energy: -265.730
where: short stacking energy: -206.680
Base-Backbone interact. energy: -0.537
local terms energy: -437.083492
where:
bonds (distance) C4'-P energy: -122.225
bonds (distance) P-C4' energy: -135.602
flat angles C4'-P-C4' energy: -108.873
flat angles P-C4'-P energy: -67.969
tors. eta vs tors. theta energy: -2.414
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: 9
Temperature: 1.300000
Total energy: -570.630655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.630655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.630655 (E_RNA)
where:
Base-Base interactions energy: -212.464
where: short stacking energy: -163.862
Base-Backbone interact. energy: 5.186
local terms energy: -363.352746
where:
bonds (distance) C4'-P energy: -123.418
bonds (distance) P-C4' energy: -112.535
flat angles C4'-P-C4' energy: -114.995
flat angles P-C4'-P energy: -36.279
tors. eta vs tors. theta energy: 23.875
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: 6
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -543.622070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.622070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.622070 (E_RNA)
where:
Base-Base interactions energy: -154.936
where: short stacking energy: -133.265
Base-Backbone interact. energy: 1.448
local terms energy: -390.134391
where:
bonds (distance) C4'-P energy: -136.530
bonds (distance) P-C4' energy: -118.909
flat angles C4'-P-C4' energy: -102.679
flat angles P-C4'-P energy: -74.298
tors. eta vs tors. theta energy: 42.282
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: 10
Temperature: 0.900000
Total energy: -1645.395065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.395065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.395065 (E_RNA)
where:
Base-Base interactions energy: -948.353
where: short stacking energy: -569.975
Base-Backbone interact. energy: -1.652
local terms energy: -695.389558
where:
bonds (distance) C4'-P energy: -137.582
bonds (distance) P-C4' energy: -163.224
flat angles C4'-P-C4' energy: -152.249
flat angles P-C4'-P energy: -86.222
tors. eta vs tors. theta energy: -156.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1467.245575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.245575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.245575 (E_RNA)
where:
Base-Base interactions energy: -781.695
where: short stacking energy: -479.090
Base-Backbone interact. energy: 0.313
local terms energy: -685.863529
where:
bonds (distance) C4'-P energy: -139.053
bonds (distance) P-C4' energy: -161.379
flat angles C4'-P-C4' energy: -155.445
flat angles P-C4'-P energy: -104.335
tors. eta vs tors. theta energy: -125.652
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: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1298.615912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.615912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.615912 (E_RNA)
where:
Base-Base interactions energy: -666.059
where: short stacking energy: -430.743
Base-Backbone interact. energy: -0.265
local terms energy: -632.291613
where:
bonds (distance) C4'-P energy: -146.629
bonds (distance) P-C4' energy: -151.146
flat angles C4'-P-C4' energy: -142.927
flat angles P-C4'-P energy: -90.957
tors. eta vs tors. theta energy: -100.632
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: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1204.006806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.006806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.006806 (E_RNA)
where:
Base-Base interactions energy: -624.342
where: short stacking energy: -366.151
Base-Backbone interact. energy: 3.337
local terms energy: -583.002506
where:
bonds (distance) C4'-P energy: -145.920
bonds (distance) P-C4' energy: -155.893
flat angles C4'-P-C4' energy: -127.114
flat angles P-C4'-P energy: -79.021
tors. eta vs tors. theta energy: -75.054
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: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1060.921735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.921735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.921735 (E_RNA)
where:
Base-Base interactions energy: -515.311
where: short stacking energy: -291.298
Base-Backbone interact. energy: 1.958
local terms energy: -547.568876
where:
bonds (distance) C4'-P energy: -134.772
bonds (distance) P-C4' energy: -158.394
flat angles C4'-P-C4' energy: -135.560
flat angles P-C4'-P energy: -86.009
tors. eta vs tors. theta energy: -32.833
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: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -879.556071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.556071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.556071 (E_RNA)
where:
Base-Base interactions energy: -378.130
where: short stacking energy: -259.255
Base-Backbone interact. energy: 1.991
local terms energy: -503.417425
where:
bonds (distance) C4'-P energy: -133.324
bonds (distance) P-C4' energy: -145.075
flat angles C4'-P-C4' energy: -127.377
flat angles P-C4'-P energy: -90.707
tors. eta vs tors. theta energy: -6.934
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: 7, replica: 10
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -867.737061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.737061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.737061 (E_RNA)
where:
Base-Base interactions energy: -401.951
where: short stacking energy: -267.049
Base-Backbone interact. energy: 4.996
local terms energy: -470.782973
where:
bonds (distance) C4'-P energy: -118.975
bonds (distance) P-C4' energy: -148.450
flat angles C4'-P-C4' energy: -117.058
flat angles P-C4'-P energy: -71.639
tors. eta vs tors. theta energy: -14.661
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: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -745.706471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.706471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.706471 (E_RNA)
where:
Base-Base interactions energy: -314.249
where: short stacking energy: -226.746
Base-Backbone interact. energy: 2.347
local terms energy: -433.804821
where:
bonds (distance) C4'-P energy: -120.608
bonds (distance) P-C4' energy: -138.312
flat angles C4'-P-C4' energy: -99.487
flat angles P-C4'-P energy: -66.515
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -622.266780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.266780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.266780 (E_RNA)
where:
Base-Base interactions energy: -237.868
where: short stacking energy: -183.978
Base-Backbone interact. energy: 0.107
local terms energy: -384.505641
where:
bonds (distance) C4'-P energy: -129.649
bonds (distance) P-C4' energy: -127.782
flat angles C4'-P-C4' energy: -79.687
flat angles P-C4'-P energy: -78.184
tors. eta vs tors. theta energy: 30.796
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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -551.474736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.474736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.474736 (E_RNA)
where:
Base-Base interactions energy: -191.744
where: short stacking energy: -134.567
Base-Backbone interact. energy: -3.275
local terms energy: -356.455170
where:
bonds (distance) C4'-P energy: -102.995
bonds (distance) P-C4' energy: -144.399
flat angles C4'-P-C4' energy: -81.766
flat angles P-C4'-P energy: -56.882
tors. eta vs tors. theta energy: 29.587
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: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1666.972073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.972073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.972073 (E_RNA)
where:
Base-Base interactions energy: -967.113
where: short stacking energy: -552.491
Base-Backbone interact. energy: -1.240
local terms energy: -698.619063
where:
bonds (distance) C4'-P energy: -157.190
bonds (distance) P-C4' energy: -144.724
flat angles C4'-P-C4' energy: -156.400
flat angles P-C4'-P energy: -92.295
tors. eta vs tors. theta energy: -148.010
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1467.378336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.378336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.378336 (E_RNA)
where:
Base-Base interactions energy: -805.358
where: short stacking energy: -480.451
Base-Backbone interact. energy: -0.067
local terms energy: -661.952886
where:
bonds (distance) C4'-P energy: -152.511
bonds (distance) P-C4' energy: -153.510
flat angles C4'-P-C4' energy: -157.829
flat angles P-C4'-P energy: -85.840
tors. eta vs tors. theta energy: -112.262
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1424.260097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.260097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.260097 (E_RNA)
where:
Base-Base interactions energy: -788.689
where: short stacking energy: -461.858
Base-Backbone interact. energy: -2.655
local terms energy: -632.916435
where:
bonds (distance) C4'-P energy: -134.026
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -140.197
flat angles P-C4'-P energy: -103.472
tors. eta vs tors. theta energy: -113.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1423.838040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.838040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.838040 (E_RNA)
where:
Base-Base interactions energy: -862.760
where: short stacking energy: -408.440
Base-Backbone interact. energy: -0.827
local terms energy: -560.251318
where:
bonds (distance) C4'-P energy: -118.372
bonds (distance) P-C4' energy: -137.229
flat angles C4'-P-C4' energy: -142.827
flat angles P-C4'-P energy: -75.969
tors. eta vs tors. theta energy: -85.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1090.908751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.908751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.908751 (E_RNA)
where:
Base-Base interactions energy: -550.877
where: short stacking energy: -319.879
Base-Backbone interact. energy: -0.079
local terms energy: -539.951786
where:
bonds (distance) C4'-P energy: -141.368
bonds (distance) P-C4' energy: -147.855
flat angles C4'-P-C4' energy: -149.125
flat angles P-C4'-P energy: -74.044
tors. eta vs tors. theta energy: -27.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -993.002503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.002503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.002503 (E_RNA)
where:
Base-Base interactions energy: -507.289
where: short stacking energy: -275.338
Base-Backbone interact. energy: -2.443
local terms energy: -483.270804
where:
bonds (distance) C4'-P energy: -117.045
bonds (distance) P-C4' energy: -145.205
flat angles C4'-P-C4' energy: -122.459
flat angles P-C4'-P energy: -78.046
tors. eta vs tors. theta energy: -20.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -883.737679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.737679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.737679 (E_RNA)
where:
Base-Base interactions energy: -412.256
where: short stacking energy: -268.711
Base-Backbone interact. energy: 0.792
local terms energy: -472.273840
where:
bonds (distance) C4'-P energy: -110.705
bonds (distance) P-C4' energy: -140.292
flat angles C4'-P-C4' energy: -105.119
flat angles P-C4'-P energy: -80.530
tors. eta vs tors. theta energy: -35.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -719.425592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.425592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.425592 (E_RNA)
where:
Base-Base interactions energy: -311.906
where: short stacking energy: -229.380
Base-Backbone interact. energy: 1.251
local terms energy: -408.771232
where:
bonds (distance) C4'-P energy: -141.367
bonds (distance) P-C4' energy: -151.782
flat angles C4'-P-C4' energy: -83.260
flat angles P-C4'-P energy: -40.313
tors. eta vs tors. theta energy: 7.951
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: 11
Temperature: 1.300000
Total energy: -637.992722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.992722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.992722 (E_RNA)
where:
Base-Base interactions energy: -239.962
where: short stacking energy: -166.746
Base-Backbone interact. energy: 0.950
local terms energy: -398.980708
where:
bonds (distance) C4'-P energy: -121.773
bonds (distance) P-C4' energy: -143.103
flat angles C4'-P-C4' energy: -89.359
flat angles P-C4'-P energy: -60.318
tors. eta vs tors. theta energy: 15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -613.903490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.903490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.903490 (E_RNA)
where:
Base-Base interactions energy: -244.040
where: short stacking energy: -166.834
Base-Backbone interact. energy: -0.736
local terms energy: -369.127163
where:
bonds (distance) C4'-P energy: -105.060
bonds (distance) P-C4' energy: -128.108
flat angles C4'-P-C4' energy: -92.087
flat angles P-C4'-P energy: -67.929
tors. eta vs tors. theta energy: 24.057
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: 1, replica: 3
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1653.671797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.671797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.671797 (E_RNA)
where:
Base-Base interactions energy: -918.882
where: short stacking energy: -530.507
Base-Backbone interact. energy: -2.933
local terms energy: -731.856260
where:
bonds (distance) C4'-P energy: -160.135
bonds (distance) P-C4' energy: -158.683
flat angles C4'-P-C4' energy: -155.596
flat angles P-C4'-P energy: -114.866
tors. eta vs tors. theta energy: -142.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1460.863671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.863671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.863671 (E_RNA)
where:
Base-Base interactions energy: -821.965
where: short stacking energy: -478.277
Base-Backbone interact. energy: 1.618
local terms energy: -640.516955
where:
bonds (distance) C4'-P energy: -143.150
bonds (distance) P-C4' energy: -135.617
flat angles C4'-P-C4' energy: -160.531
flat angles P-C4'-P energy: -104.300
tors. eta vs tors. theta energy: -96.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1547.692394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.692394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.692394 (E_RNA)
where:
Base-Base interactions energy: -934.559
where: short stacking energy: -465.209
Base-Backbone interact. energy: -4.498
local terms energy: -608.634845
where:
bonds (distance) C4'-P energy: -131.588
bonds (distance) P-C4' energy: -135.517
flat angles C4'-P-C4' energy: -141.401
flat angles P-C4'-P energy: -102.293
tors. eta vs tors. theta energy: -97.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1329.087698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.087698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.087698 (E_RNA)
where:
Base-Base interactions energy: -756.465
where: short stacking energy: -425.283
Base-Backbone interact. energy: 5.984
local terms energy: -578.607381
where:
bonds (distance) C4'-P energy: -119.509
bonds (distance) P-C4' energy: -158.673
flat angles C4'-P-C4' energy: -127.015
flat angles P-C4'-P energy: -73.606
tors. eta vs tors. theta energy: -99.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1177.862103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.862103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.862103 (E_RNA)
where:
Base-Base interactions energy: -613.888
where: short stacking energy: -387.270
Base-Backbone interact. energy: 0.567
local terms energy: -564.540851
where:
bonds (distance) C4'-P energy: -146.775
bonds (distance) P-C4' energy: -137.823
flat angles C4'-P-C4' energy: -126.758
flat angles P-C4'-P energy: -83.233
tors. eta vs tors. theta energy: -69.951
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: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -946.566131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.566131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.566131 (E_RNA)
where:
Base-Base interactions energy: -433.615
where: short stacking energy: -245.610
Base-Backbone interact. energy: 0.256
local terms energy: -513.207357
where:
bonds (distance) C4'-P energy: -149.558
bonds (distance) P-C4' energy: -157.577
flat angles C4'-P-C4' energy: -118.460
flat angles P-C4'-P energy: -64.040
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -920.128813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.128813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.128813 (E_RNA)
where:
Base-Base interactions energy: -427.244
where: short stacking energy: -267.801
Base-Backbone interact. energy: 1.612
local terms energy: -494.496669
where:
bonds (distance) C4'-P energy: -133.236
bonds (distance) P-C4' energy: -137.253
flat angles C4'-P-C4' energy: -123.059
flat angles P-C4'-P energy: -75.308
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -740.140369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.140369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.140369 (E_RNA)
where:
Base-Base interactions energy: -306.996
where: short stacking energy: -193.321
Base-Backbone interact. energy: 2.436
local terms energy: -435.580334
where:
bonds (distance) C4'-P energy: -122.975
bonds (distance) P-C4' energy: -145.942
flat angles C4'-P-C4' energy: -116.318
flat angles P-C4'-P energy: -67.838
tors. eta vs tors. theta energy: 17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -658.075149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.075149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.075149 (E_RNA)
where:
Base-Base interactions energy: -247.660
where: short stacking energy: -201.189
Base-Backbone interact. energy: 0.500
local terms energy: -410.914414
where:
bonds (distance) C4'-P energy: -116.340
bonds (distance) P-C4' energy: -141.555
flat angles C4'-P-C4' energy: -124.802
flat angles P-C4'-P energy: -52.284
tors. eta vs tors. theta energy: 24.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -578.132689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.132689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.132689 (E_RNA)
where:
Base-Base interactions energy: -227.190
where: short stacking energy: -151.748
Base-Backbone interact. energy: -2.212
local terms energy: -348.731303
where:
bonds (distance) C4'-P energy: -130.240
bonds (distance) P-C4' energy: -113.476
flat angles C4'-P-C4' energy: -82.636
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: 27.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1670.225539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.225539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.225539 (E_RNA)
where:
Base-Base interactions energy: -977.480
where: short stacking energy: -548.831
Base-Backbone interact. energy: -0.473
local terms energy: -692.272931
where:
bonds (distance) C4'-P energy: -142.902
bonds (distance) P-C4' energy: -158.575
flat angles C4'-P-C4' energy: -158.718
flat angles P-C4'-P energy: -93.851
tors. eta vs tors. theta energy: -138.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1688.563673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.563673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.563673 (E_RNA)
where:
Base-Base interactions energy: -1032.512
where: short stacking energy: -470.449
Base-Backbone interact. energy: 0.671
local terms energy: -656.723026
where:
bonds (distance) C4'-P energy: -135.840
bonds (distance) P-C4' energy: -152.921
flat angles C4'-P-C4' energy: -163.791
flat angles P-C4'-P energy: -93.270
tors. eta vs tors. theta energy: -110.901
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: 13
Temperature: 1.000000
Total energy: -1464.126742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.126742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.126742 (E_RNA)
where:
Base-Base interactions energy: -833.441
where: short stacking energy: -408.733
Base-Backbone interact. energy: 2.070
local terms energy: -632.755629
where:
bonds (distance) C4'-P energy: -136.614
bonds (distance) P-C4' energy: -160.011
flat angles C4'-P-C4' energy: -154.774
flat angles P-C4'-P energy: -78.532
tors. eta vs tors. theta energy: -102.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1342.085536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.085536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.085536 (E_RNA)
where:
Base-Base interactions energy: -754.505
where: short stacking energy: -396.925
Base-Backbone interact. energy: -2.311
local terms energy: -585.269208
where:
bonds (distance) C4'-P energy: -147.983
bonds (distance) P-C4' energy: -157.640
flat angles C4'-P-C4' energy: -114.808
flat angles P-C4'-P energy: -95.608
tors. eta vs tors. theta energy: -69.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1261.928651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.928651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.928651 (E_RNA)
where:
Base-Base interactions energy: -707.886
where: short stacking energy: -369.295
Base-Backbone interact. energy: -1.888
local terms energy: -552.154778
where:
bonds (distance) C4'-P energy: -140.584
bonds (distance) P-C4' energy: -140.482
flat angles C4'-P-C4' energy: -124.786
flat angles P-C4'-P energy: -85.618
tors. eta vs tors. theta energy: -60.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -986.802980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.802980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.802980 (E_RNA)
where:
Base-Base interactions energy: -496.215
where: short stacking energy: -306.121
Base-Backbone interact. energy: 0.942
local terms energy: -491.529607
where:
bonds (distance) C4'-P energy: -131.760
bonds (distance) P-C4' energy: -136.913
flat angles C4'-P-C4' energy: -108.298
flat angles P-C4'-P energy: -68.458
tors. eta vs tors. theta energy: -46.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -967.365302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.365302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.365302 (E_RNA)
where:
Base-Base interactions energy: -470.024
where: short stacking energy: -298.950
Base-Backbone interact. energy: 0.998
local terms energy: -498.339161
where:
bonds (distance) C4'-P energy: -124.147
bonds (distance) P-C4' energy: -138.184
flat angles C4'-P-C4' energy: -126.417
flat angles P-C4'-P energy: -73.864
tors. eta vs tors. theta energy: -35.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -678.746494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.746494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.746494 (E_RNA)
where:
Base-Base interactions energy: -252.394
where: short stacking energy: -201.717
Base-Backbone interact. energy: 0.942
local terms energy: -427.294298
where:
bonds (distance) C4'-P energy: -117.064
bonds (distance) P-C4' energy: -120.449
flat angles C4'-P-C4' energy: -112.841
flat angles P-C4'-P energy: -82.040
tors. eta vs tors. theta energy: 5.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -696.140128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.140128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.140128 (E_RNA)
where:
Base-Base interactions energy: -296.510
where: short stacking energy: -216.534
Base-Backbone interact. energy: 0.681
local terms energy: -400.310928
where:
bonds (distance) C4'-P energy: -112.971
bonds (distance) P-C4' energy: -113.553
flat angles C4'-P-C4' energy: -107.930
flat angles P-C4'-P energy: -69.262
tors. eta vs tors. theta energy: 3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -618.066758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.066758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.066758 (E_RNA)
where:
Base-Base interactions energy: -274.162
where: short stacking energy: -149.782
Base-Backbone interact. energy: 3.178
local terms energy: -347.082871
where:
bonds (distance) C4'-P energy: -107.112
bonds (distance) P-C4' energy: -117.316
flat angles C4'-P-C4' energy: -108.933
flat angles P-C4'-P energy: -32.127
tors. eta vs tors. theta energy: 18.405
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: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1842.526850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.526850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.526850 (E_RNA)
where:
Base-Base interactions energy: -1125.749
where: short stacking energy: -557.880
Base-Backbone interact. energy: -2.211
local terms energy: -714.566431
where:
bonds (distance) C4'-P energy: -143.332
bonds (distance) P-C4' energy: -158.926
flat angles C4'-P-C4' energy: -162.266
flat angles P-C4'-P energy: -105.434
tors. eta vs tors. theta energy: -144.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1566.168659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.168659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.168659 (E_RNA)
where:
Base-Base interactions energy: -885.012
where: short stacking energy: -503.316
Base-Backbone interact. energy: -0.713
local terms energy: -680.443137
where:
bonds (distance) C4'-P energy: -156.352
bonds (distance) P-C4' energy: -150.823
flat angles C4'-P-C4' energy: -137.173
flat angles P-C4'-P energy: -109.557
tors. eta vs tors. theta energy: -126.538
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: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1455.195046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.195046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.195046 (E_RNA)
where:
Base-Base interactions energy: -801.496
where: short stacking energy: -493.354
Base-Backbone interact. energy: -0.588
local terms energy: -653.110650
where:
bonds (distance) C4'-P energy: -126.595
bonds (distance) P-C4' energy: -164.699
flat angles C4'-P-C4' energy: -156.687
flat angles P-C4'-P energy: -80.271
tors. eta vs tors. theta energy: -124.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1425.000848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.000848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.000848 (E_RNA)
where:
Base-Base interactions energy: -810.440
where: short stacking energy: -432.728
Base-Backbone interact. energy: -4.372
local terms energy: -610.188726
where:
bonds (distance) C4'-P energy: -133.353
bonds (distance) P-C4' energy: -141.003
flat angles C4'-P-C4' energy: -146.957
flat angles P-C4'-P energy: -89.123
tors. eta vs tors. theta energy: -99.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1318.740260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.740260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.740260 (E_RNA)
where:
Base-Base interactions energy: -719.093
where: short stacking energy: -401.655
Base-Backbone interact. energy: 0.322
local terms energy: -599.969237
where:
bonds (distance) C4'-P energy: -140.155
bonds (distance) P-C4' energy: -131.903
flat angles C4'-P-C4' energy: -145.087
flat angles P-C4'-P energy: -85.069
tors. eta vs tors. theta energy: -97.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1028.910278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.910278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.910278 (E_RNA)
where:
Base-Base interactions energy: -504.599
where: short stacking energy: -310.063
Base-Backbone interact. energy: -2.190
local terms energy: -522.121514
where:
bonds (distance) C4'-P energy: -124.178
bonds (distance) P-C4' energy: -138.540
flat angles C4'-P-C4' energy: -125.098
flat angles P-C4'-P energy: -89.576
tors. eta vs tors. theta energy: -44.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -919.901552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.901552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.901552 (E_RNA)
where:
Base-Base interactions energy: -437.511
where: short stacking energy: -281.496
Base-Backbone interact. energy: 3.989
local terms energy: -486.380223
where:
bonds (distance) C4'-P energy: -114.612
bonds (distance) P-C4' energy: -143.907
flat angles C4'-P-C4' energy: -127.075
flat angles P-C4'-P energy: -76.151
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -725.813822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.813822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.813822 (E_RNA)
where:
Base-Base interactions energy: -321.401
where: short stacking energy: -200.028
Base-Backbone interact. energy: 9.059
local terms energy: -413.472146
where:
bonds (distance) C4'-P energy: -124.027
bonds (distance) P-C4' energy: -117.435
flat angles C4'-P-C4' energy: -118.569
flat angles P-C4'-P energy: -65.170
tors. eta vs tors. theta energy: 11.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -670.556798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.556798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.556798 (E_RNA)
where:
Base-Base interactions energy: -274.203
where: short stacking energy: -196.955
Base-Backbone interact. energy: 0.322
local terms energy: -396.675822
where:
bonds (distance) C4'-P energy: -118.279
bonds (distance) P-C4' energy: -138.241
flat angles C4'-P-C4' energy: -103.143
flat angles P-C4'-P energy: -52.385
tors. eta vs tors. theta energy: 15.372
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -614.091228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.091228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.091228 (E_RNA)
where:
Base-Base interactions energy: -264.258
where: short stacking energy: -167.497
Base-Backbone interact. energy: -1.236
local terms energy: -348.597548
where:
bonds (distance) C4'-P energy: -106.576
bonds (distance) P-C4' energy: -118.884
flat angles C4'-P-C4' energy: -75.438
flat angles P-C4'-P energy: -61.136
tors. eta vs tors. theta energy: 13.436
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: 5
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1844.115586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.115586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.115586 (E_RNA)
where:
Base-Base interactions energy: -1151.681
where: short stacking energy: -514.064
Base-Backbone interact. energy: -0.469
local terms energy: -691.965630
where:
bonds (distance) C4'-P energy: -146.279
bonds (distance) P-C4' energy: -154.165
flat angles C4'-P-C4' energy: -165.405
flat angles P-C4'-P energy: -109.567
tors. eta vs tors. theta energy: -116.550
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: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1613.587525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.587525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.587525 (E_RNA)
where:
Base-Base interactions energy: -927.047
where: short stacking energy: -520.983
Base-Backbone interact. energy: -2.394
local terms energy: -684.146881
where:
bonds (distance) C4'-P energy: -142.625
bonds (distance) P-C4' energy: -160.464
flat angles C4'-P-C4' energy: -167.830
flat angles P-C4'-P energy: -83.225
tors. eta vs tors. theta energy: -130.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1478.720079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.720079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.720079 (E_RNA)
where:
Base-Base interactions energy: -867.641
where: short stacking energy: -478.117
Base-Backbone interact. energy: -1.579
local terms energy: -609.500207
where:
bonds (distance) C4'-P energy: -122.817
bonds (distance) P-C4' energy: -153.021
flat angles C4'-P-C4' energy: -153.172
flat angles P-C4'-P energy: -75.861
tors. eta vs tors. theta energy: -104.630
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: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1382.616379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.616379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.616379 (E_RNA)
where:
Base-Base interactions energy: -794.770
where: short stacking energy: -438.786
Base-Backbone interact. energy: -4.519
local terms energy: -583.327936
where:
bonds (distance) C4'-P energy: -126.726
bonds (distance) P-C4' energy: -133.308
flat angles C4'-P-C4' energy: -155.795
flat angles P-C4'-P energy: -79.351
tors. eta vs tors. theta energy: -88.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1327.102096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.102096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.102096 (E_RNA)
where:
Base-Base interactions energy: -763.454
where: short stacking energy: -394.332
Base-Backbone interact. energy: -2.923
local terms energy: -560.724980
where:
bonds (distance) C4'-P energy: -136.656
bonds (distance) P-C4' energy: -150.443
flat angles C4'-P-C4' energy: -135.308
flat angles P-C4'-P energy: -57.602
tors. eta vs tors. theta energy: -80.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1059.973152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.973152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.973152 (E_RNA)
where:
Base-Base interactions energy: -524.694
where: short stacking energy: -295.386
Base-Backbone interact. energy: -4.977
local terms energy: -530.302371
where:
bonds (distance) C4'-P energy: -135.146
bonds (distance) P-C4' energy: -142.259
flat angles C4'-P-C4' energy: -151.699
flat angles P-C4'-P energy: -73.323
tors. eta vs tors. theta energy: -27.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -949.184073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.184073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.184073 (E_RNA)
where:
Base-Base interactions energy: -468.485
where: short stacking energy: -272.699
Base-Backbone interact. energy: 0.210
local terms energy: -480.909453
where:
bonds (distance) C4'-P energy: -143.203
bonds (distance) P-C4' energy: -134.182
flat angles C4'-P-C4' energy: -111.762
flat angles P-C4'-P energy: -66.897
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -762.961119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.961119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.961119 (E_RNA)
where:
Base-Base interactions energy: -311.096
where: short stacking energy: -201.386
Base-Backbone interact. energy: 0.365
local terms energy: -452.229801
where:
bonds (distance) C4'-P energy: -103.571
bonds (distance) P-C4' energy: -131.895
flat angles C4'-P-C4' energy: -126.660
flat angles P-C4'-P energy: -75.606
tors. eta vs tors. theta energy: -14.499
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: 15
Temperature: 1.300000
Total energy: -636.279588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.279588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.279588 (E_RNA)
where:
Base-Base interactions energy: -254.035
where: short stacking energy: -151.871
Base-Backbone interact. energy: 13.295
local terms energy: -395.539978
where:
bonds (distance) C4'-P energy: -117.777
bonds (distance) P-C4' energy: -119.975
flat angles C4'-P-C4' energy: -115.556
flat angles P-C4'-P energy: -70.293
tors. eta vs tors. theta energy: 28.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -611.016515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.016515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.016515 (E_RNA)
where:
Base-Base interactions energy: -218.769
where: short stacking energy: -157.149
Base-Backbone interact. energy: -1.206
local terms energy: -391.042115
where:
bonds (distance) C4'-P energy: -135.163
bonds (distance) P-C4' energy: -125.914
flat angles C4'-P-C4' energy: -98.503
flat angles P-C4'-P energy: -57.533
tors. eta vs tors. theta energy: 26.071
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: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1885.060220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.060220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.060220 (E_RNA)
where:
Base-Base interactions energy: -1202.130
where: short stacking energy: -524.393
Base-Backbone interact. energy: -1.070
local terms energy: -681.860115
where:
bonds (distance) C4'-P energy: -158.393
bonds (distance) P-C4' energy: -150.504
flat angles C4'-P-C4' energy: -161.647
flat angles P-C4'-P energy: -102.281
tors. eta vs tors. theta energy: -109.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1657.242667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.242667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.242667 (E_RNA)
where:
Base-Base interactions energy: -961.729
where: short stacking energy: -508.959
Base-Backbone interact. energy: -1.276
local terms energy: -694.237563
where:
bonds (distance) C4'-P energy: -159.101
bonds (distance) P-C4' energy: -156.742
flat angles C4'-P-C4' energy: -152.299
flat angles P-C4'-P energy: -94.378
tors. eta vs tors. theta energy: -131.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1592.943288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.943288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.943288 (E_RNA)
where:
Base-Base interactions energy: -987.729
where: short stacking energy: -493.409
Base-Backbone interact. energy: -5.372
local terms energy: -599.842418
where:
bonds (distance) C4'-P energy: -128.914
bonds (distance) P-C4' energy: -129.586
flat angles C4'-P-C4' energy: -145.050
flat angles P-C4'-P energy: -91.117
tors. eta vs tors. theta energy: -105.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1386.393104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.393104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.393104 (E_RNA)
where:
Base-Base interactions energy: -758.780
where: short stacking energy: -417.226
Base-Backbone interact. energy: -2.769
local terms energy: -624.844490
where:
bonds (distance) C4'-P energy: -143.377
bonds (distance) P-C4' energy: -143.427
flat angles C4'-P-C4' energy: -147.775
flat angles P-C4'-P energy: -80.433
tors. eta vs tors. theta energy: -109.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1368.751664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.751664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.751664 (E_RNA)
where:
Base-Base interactions energy: -803.097
where: short stacking energy: -441.500
Base-Backbone interact. energy: 0.758
local terms energy: -566.412743
where:
bonds (distance) C4'-P energy: -127.768
bonds (distance) P-C4' energy: -120.761
flat angles C4'-P-C4' energy: -142.575
flat angles P-C4'-P energy: -77.449
tors. eta vs tors. theta energy: -97.860
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: 10
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1127.280265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.280265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.280265 (E_RNA)
where:
Base-Base interactions energy: -574.725
where: short stacking energy: -317.319
Base-Backbone interact. energy: -3.978
local terms energy: -548.577612
where:
bonds (distance) C4'-P energy: -124.843
bonds (distance) P-C4' energy: -142.654
flat angles C4'-P-C4' energy: -145.576
flat angles P-C4'-P energy: -90.348
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: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -929.777848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.777848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.777848 (E_RNA)
where:
Base-Base interactions energy: -478.388
where: short stacking energy: -260.204
Base-Backbone interact. energy: 1.982
local terms energy: -453.371566
where:
bonds (distance) C4'-P energy: -128.239
bonds (distance) P-C4' energy: -135.824
flat angles C4'-P-C4' energy: -125.906
flat angles P-C4'-P energy: -48.732
tors. eta vs tors. theta energy: -14.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -773.864648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.864648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.864648 (E_RNA)
where:
Base-Base interactions energy: -334.827
where: short stacking energy: -199.681
Base-Backbone interact. energy: 3.074
local terms energy: -442.111591
where:
bonds (distance) C4'-P energy: -141.527
bonds (distance) P-C4' energy: -131.482
flat angles C4'-P-C4' energy: -111.863
flat angles P-C4'-P energy: -61.142
tors. eta vs tors. theta energy: 3.902
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: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -700.346175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.346175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.346175 (E_RNA)
where:
Base-Base interactions energy: -290.770
where: short stacking energy: -207.187
Base-Backbone interact. energy: -2.413
local terms energy: -407.163130
where:
bonds (distance) C4'-P energy: -111.389
bonds (distance) P-C4' energy: -131.489
flat angles C4'-P-C4' energy: -94.403
flat angles P-C4'-P energy: -68.128
tors. eta vs tors. theta energy: -1.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -572.634424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.634424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.634424 (E_RNA)
where:
Base-Base interactions energy: -188.768
where: short stacking energy: -139.050
Base-Backbone interact. energy: 8.031
local terms energy: -391.897734
where:
bonds (distance) C4'-P energy: -122.379
bonds (distance) P-C4' energy: -142.688
flat angles C4'-P-C4' energy: -103.338
flat angles P-C4'-P energy: -57.260
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: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1947.925619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.925619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.925619 (E_RNA)
where:
Base-Base interactions energy: -1245.302
where: short stacking energy: -557.496
Base-Backbone interact. energy: -3.238
local terms energy: -699.386165
where:
bonds (distance) C4'-P energy: -148.828
bonds (distance) P-C4' energy: -162.808
flat angles C4'-P-C4' energy: -159.708
flat angles P-C4'-P energy: -88.561
tors. eta vs tors. theta energy: -139.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1695.875312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.875312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.875312 (E_RNA)
where:
Base-Base interactions energy: -1031.607
where: short stacking energy: -542.922
Base-Backbone interact. energy: 5.685
local terms energy: -669.952635
where:
bonds (distance) C4'-P energy: -149.829
bonds (distance) P-C4' energy: -143.737
flat angles C4'-P-C4' energy: -150.682
flat angles P-C4'-P energy: -90.870
tors. eta vs tors. theta energy: -134.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1657.485145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.485145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.485145 (E_RNA)
where:
Base-Base interactions energy: -1033.015
where: short stacking energy: -493.219
Base-Backbone interact. energy: 0.518
local terms energy: -624.988568
where:
bonds (distance) C4'-P energy: -148.550
bonds (distance) P-C4' energy: -150.770
flat angles C4'-P-C4' energy: -130.277
flat angles P-C4'-P energy: -95.778
tors. eta vs tors. theta energy: -99.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1399.916394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.916394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.916394 (E_RNA)
where:
Base-Base interactions energy: -775.374
where: short stacking energy: -443.532
Base-Backbone interact. energy: -1.882
local terms energy: -622.660757
where:
bonds (distance) C4'-P energy: -139.885
bonds (distance) P-C4' energy: -132.161
flat angles C4'-P-C4' energy: -151.278
flat angles P-C4'-P energy: -101.342
tors. eta vs tors. theta energy: -97.995
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: 4
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1354.414767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.414767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.414767 (E_RNA)
where:
Base-Base interactions energy: -809.587
where: short stacking energy: -454.589
Base-Backbone interact. energy: -1.577
local terms energy: -543.250252
where:
bonds (distance) C4'-P energy: -124.259
bonds (distance) P-C4' energy: -119.908
flat angles C4'-P-C4' energy: -129.874
flat angles P-C4'-P energy: -80.629
tors. eta vs tors. theta energy: -88.581
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: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1136.227623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.227623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.227623 (E_RNA)
where:
Base-Base interactions energy: -599.499
where: short stacking energy: -337.182
Base-Backbone interact. energy: 0.383
local terms energy: -537.111887
where:
bonds (distance) C4'-P energy: -144.287
bonds (distance) P-C4' energy: -130.880
flat angles C4'-P-C4' energy: -120.807
flat angles P-C4'-P energy: -94.899
tors. eta vs tors. theta energy: -46.239
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -909.114600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.114600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.114600 (E_RNA)
where:
Base-Base interactions energy: -455.726
where: short stacking energy: -268.363
Base-Backbone interact. energy: 6.382
local terms energy: -459.770112
where:
bonds (distance) C4'-P energy: -110.989
bonds (distance) P-C4' energy: -142.570
flat angles C4'-P-C4' energy: -120.824
flat angles P-C4'-P energy: -57.082
tors. eta vs tors. theta energy: -28.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -695.948975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.948975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.948975 (E_RNA)
where:
Base-Base interactions energy: -260.284
where: short stacking energy: -190.189
Base-Backbone interact. energy: 4.615
local terms energy: -440.279930
where:
bonds (distance) C4'-P energy: -123.403
bonds (distance) P-C4' energy: -130.906
flat angles C4'-P-C4' energy: -122.468
flat angles P-C4'-P energy: -74.987
tors. eta vs tors. theta energy: 11.484
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: 17
Temperature: 1.300000
Total energy: -707.324923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.324923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.324923 (E_RNA)
where:
Base-Base interactions energy: -289.315
where: short stacking energy: -180.943
Base-Backbone interact. energy: 0.369
local terms energy: -418.378858
where:
bonds (distance) C4'-P energy: -140.131
bonds (distance) P-C4' energy: -126.765
flat angles C4'-P-C4' energy: -114.161
flat angles P-C4'-P energy: -59.595
tors. eta vs tors. theta energy: 22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -559.387063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.387063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.387063 (E_RNA)
where:
Base-Base interactions energy: -198.086
where: short stacking energy: -137.929
Base-Backbone interact. energy: 1.441
local terms energy: -362.742280
where:
bonds (distance) C4'-P energy: -118.976
bonds (distance) P-C4' energy: -122.607
flat angles C4'-P-C4' energy: -89.175
flat angles P-C4'-P energy: -63.169
tors. eta vs tors. theta energy: 31.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1967.487565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.487565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.487565 (E_RNA)
where:
Base-Base interactions energy: -1264.058
where: short stacking energy: -534.159
Base-Backbone interact. energy: 3.963
local terms energy: -707.392717
where:
bonds (distance) C4'-P energy: -130.576
bonds (distance) P-C4' energy: -169.947
flat angles C4'-P-C4' energy: -173.380
flat angles P-C4'-P energy: -90.867
tors. eta vs tors. theta energy: -142.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1696.986313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.986313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.986313 (E_RNA)
where:
Base-Base interactions energy: -995.629
where: short stacking energy: -516.715
Base-Backbone interact. energy: -2.171
local terms energy: -699.186845
where:
bonds (distance) C4'-P energy: -143.731
bonds (distance) P-C4' energy: -154.654
flat angles C4'-P-C4' energy: -169.401
flat angles P-C4'-P energy: -103.395
tors. eta vs tors. theta energy: -128.005
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: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1721.231116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.231116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.231116 (E_RNA)
where:
Base-Base interactions energy: -1079.366
where: short stacking energy: -498.793
Base-Backbone interact. energy: 2.071
local terms energy: -643.935821
where:
bonds (distance) C4'-P energy: -123.336
bonds (distance) P-C4' energy: -153.619
flat angles C4'-P-C4' energy: -163.077
flat angles P-C4'-P energy: -89.772
tors. eta vs tors. theta energy: -114.133
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: 2
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1425.050061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.050061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.050061 (E_RNA)
where:
Base-Base interactions energy: -815.317
where: short stacking energy: -440.572
Base-Backbone interact. energy: -1.610
local terms energy: -608.122710
where:
bonds (distance) C4'-P energy: -141.613
bonds (distance) P-C4' energy: -144.528
flat angles C4'-P-C4' energy: -144.216
flat angles P-C4'-P energy: -88.386
tors. eta vs tors. theta energy: -89.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1359.739803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.739803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.739803 (E_RNA)
where:
Base-Base interactions energy: -808.427
where: short stacking energy: -453.815
Base-Backbone interact. energy: -0.403
local terms energy: -550.910167
where:
bonds (distance) C4'-P energy: -123.823
bonds (distance) P-C4' energy: -144.030
flat angles C4'-P-C4' energy: -118.486
flat angles P-C4'-P energy: -77.100
tors. eta vs tors. theta energy: -87.471
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: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1185.688301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.688301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.688301 (E_RNA)
where:
Base-Base interactions energy: -652.488
where: short stacking energy: -321.744
Base-Backbone interact. energy: -3.612
local terms energy: -529.588363
where:
bonds (distance) C4'-P energy: -149.548
bonds (distance) P-C4' energy: -126.677
flat angles C4'-P-C4' energy: -131.271
flat angles P-C4'-P energy: -90.435
tors. eta vs tors. theta energy: -31.657
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: 18
Temperature: 1.200000
Total energy: -945.928147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.928147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.928147 (E_RNA)
where:
Base-Base interactions energy: -478.578
where: short stacking energy: -274.098
Base-Backbone interact. energy: 1.838
local terms energy: -469.188230
where:
bonds (distance) C4'-P energy: -116.347
bonds (distance) P-C4' energy: -129.980
flat angles C4'-P-C4' energy: -114.156
flat angles P-C4'-P energy: -72.426
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -724.553057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.553057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.553057 (E_RNA)
where:
Base-Base interactions energy: -332.357
where: short stacking energy: -211.679
Base-Backbone interact. energy: 2.647
local terms energy: -394.843075
where:
bonds (distance) C4'-P energy: -129.223
bonds (distance) P-C4' energy: -128.551
flat angles C4'-P-C4' energy: -96.472
flat angles P-C4'-P energy: -55.798
tors. eta vs tors. theta energy: 15.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -672.778838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.778838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.778838 (E_RNA)
where:
Base-Base interactions energy: -274.049
where: short stacking energy: -181.655
Base-Backbone interact. energy: -0.644
local terms energy: -398.085863
where:
bonds (distance) C4'-P energy: -119.700
bonds (distance) P-C4' energy: -128.453
flat angles C4'-P-C4' energy: -119.600
flat angles P-C4'-P energy: -50.616
tors. eta vs tors. theta energy: 20.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -587.330030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.330030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.330030 (E_RNA)
where:
Base-Base interactions energy: -195.252
where: short stacking energy: -147.006
Base-Backbone interact. energy: -2.321
local terms energy: -389.757035
where:
bonds (distance) C4'-P energy: -137.494
bonds (distance) P-C4' energy: -132.936
flat angles C4'-P-C4' energy: -100.109
flat angles P-C4'-P energy: -53.645
tors. eta vs tors. theta energy: 34.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1976.916651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.916651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.916651 (E_RNA)
where:
Base-Base interactions energy: -1243.983
where: short stacking energy: -575.546
Base-Backbone interact. energy: 0.697
local terms energy: -733.630623
where:
bonds (distance) C4'-P energy: -152.876
bonds (distance) P-C4' energy: -165.736
flat angles C4'-P-C4' energy: -177.001
flat angles P-C4'-P energy: -105.142
tors. eta vs tors. theta energy: -132.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1827.204421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.204421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.204421 (E_RNA)
where:
Base-Base interactions energy: -1125.126
where: short stacking energy: -558.548
Base-Backbone interact. energy: -3.767
local terms energy: -698.311396
where:
bonds (distance) C4'-P energy: -151.957
bonds (distance) P-C4' energy: -160.430
flat angles C4'-P-C4' energy: -167.552
flat angles P-C4'-P energy: -95.013
tors. eta vs tors. theta energy: -123.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1531.937524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.937524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.937524 (E_RNA)
where:
Base-Base interactions energy: -889.148
where: short stacking energy: -452.083
Base-Backbone interact. energy: -0.547
local terms energy: -642.242684
where:
bonds (distance) C4'-P energy: -137.023
bonds (distance) P-C4' energy: -155.833
flat angles C4'-P-C4' energy: -163.143
flat angles P-C4'-P energy: -87.585
tors. eta vs tors. theta energy: -98.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1439.760588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.760588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.760588 (E_RNA)
where:
Base-Base interactions energy: -845.486
where: short stacking energy: -419.913
Base-Backbone interact. energy: 1.597
local terms energy: -595.871809
where:
bonds (distance) C4'-P energy: -137.156
bonds (distance) P-C4' energy: -126.897
flat angles C4'-P-C4' energy: -144.121
flat angles P-C4'-P energy: -94.005
tors. eta vs tors. theta energy: -93.692
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: 4
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1467.231490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.231490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.231490 (E_RNA)
where:
Base-Base interactions energy: -874.855
where: short stacking energy: -449.543
Base-Backbone interact. energy: -1.969
local terms energy: -590.407124
where:
bonds (distance) C4'-P energy: -136.187
bonds (distance) P-C4' energy: -138.173
flat angles C4'-P-C4' energy: -133.858
flat angles P-C4'-P energy: -77.645
tors. eta vs tors. theta energy: -104.546
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: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1314.187281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.187281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.187281 (E_RNA)
where:
Base-Base interactions energy: -759.185
where: short stacking energy: -399.048
Base-Backbone interact. energy: 1.003
local terms energy: -556.005310
where:
bonds (distance) C4'-P energy: -126.902
bonds (distance) P-C4' energy: -118.480
flat angles C4'-P-C4' energy: -147.979
flat angles P-C4'-P energy: -93.566
tors. eta vs tors. theta energy: -69.078
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -946.498712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.498712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.498712 (E_RNA)
where:
Base-Base interactions energy: -427.239
where: short stacking energy: -283.932
Base-Backbone interact. energy: -2.136
local terms energy: -517.124315
where:
bonds (distance) C4'-P energy: -140.701
bonds (distance) P-C4' energy: -142.115
flat angles C4'-P-C4' energy: -141.726
flat angles P-C4'-P energy: -61.428
tors. eta vs tors. theta energy: -31.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -791.677201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.677201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.677201 (E_RNA)
where:
Base-Base interactions energy: -369.575
where: short stacking energy: -231.786
Base-Backbone interact. energy: 8.127
local terms energy: -430.229729
where:
bonds (distance) C4'-P energy: -125.362
bonds (distance) P-C4' energy: -119.268
flat angles C4'-P-C4' energy: -117.012
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: 3.407
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: 9, replica: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -668.346245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.346245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.346245 (E_RNA)
where:
Base-Base interactions energy: -278.197
where: short stacking energy: -183.407
Base-Backbone interact. energy: -0.420
local terms energy: -389.729282
where:
bonds (distance) C4'-P energy: -117.934
bonds (distance) P-C4' energy: -124.380
flat angles C4'-P-C4' energy: -99.343
flat angles P-C4'-P energy: -64.844
tors. eta vs tors. theta energy: 16.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -554.109745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.109745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.109745 (E_RNA)
where:
Base-Base interactions energy: -192.086
where: short stacking energy: -155.237
Base-Backbone interact. energy: 0.448
local terms energy: -362.471086
where:
bonds (distance) C4'-P energy: -96.318
bonds (distance) P-C4' energy: -138.053
flat angles C4'-P-C4' energy: -103.693
flat angles P-C4'-P energy: -49.174
tors. eta vs tors. theta energy: 24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -2011.705895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.705895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.705895 (E_RNA)
where:
Base-Base interactions energy: -1277.490
where: short stacking energy: -544.520
Base-Backbone interact. energy: -4.074
local terms energy: -730.142262
where:
bonds (distance) C4'-P energy: -170.718
bonds (distance) P-C4' energy: -154.790
flat angles C4'-P-C4' energy: -158.002
flat angles P-C4'-P energy: -105.208
tors. eta vs tors. theta energy: -141.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1841.119227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.119227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.119227 (E_RNA)
where:
Base-Base interactions energy: -1155.751
where: short stacking energy: -555.165
Base-Backbone interact. energy: -3.955
local terms energy: -681.413273
where:
bonds (distance) C4'-P energy: -131.855
bonds (distance) P-C4' energy: -151.702
flat angles C4'-P-C4' energy: -158.458
flat angles P-C4'-P energy: -101.703
tors. eta vs tors. theta energy: -137.695
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: 1
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1544.275986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.275986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.275986 (E_RNA)
where:
Base-Base interactions energy: -892.391
where: short stacking energy: -472.346
Base-Backbone interact. energy: -3.701
local terms energy: -648.183787
where:
bonds (distance) C4'-P energy: -138.064
bonds (distance) P-C4' energy: -152.396
flat angles C4'-P-C4' energy: -137.453
flat angles P-C4'-P energy: -104.245
tors. eta vs tors. theta energy: -116.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1473.721839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.721839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.721839 (E_RNA)
where:
Base-Base interactions energy: -832.397
where: short stacking energy: -459.052
Base-Backbone interact. energy: -3.553
local terms energy: -637.771568
where:
bonds (distance) C4'-P energy: -148.058
bonds (distance) P-C4' energy: -127.781
flat angles C4'-P-C4' energy: -147.174
flat angles P-C4'-P energy: -93.004
tors. eta vs tors. theta energy: -121.755
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: 4
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1525.912244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.912244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.912244 (E_RNA)
where:
Base-Base interactions energy: -886.361
where: short stacking energy: -458.288
Base-Backbone interact. energy: -0.877
local terms energy: -638.673906
where:
bonds (distance) C4'-P energy: -132.255
bonds (distance) P-C4' energy: -149.752
flat angles C4'-P-C4' energy: -162.205
flat angles P-C4'-P energy: -81.008
tors. eta vs tors. theta energy: -113.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1371.579482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.579482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.579482 (E_RNA)
where:
Base-Base interactions energy: -826.756
where: short stacking energy: -400.201
Base-Backbone interact. energy: 0.311
local terms energy: -545.134288
where:
bonds (distance) C4'-P energy: -131.636
bonds (distance) P-C4' energy: -124.890
flat angles C4'-P-C4' energy: -139.346
flat angles P-C4'-P energy: -77.927
tors. eta vs tors. theta energy: -71.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -916.232334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.232334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.232334 (E_RNA)
where:
Base-Base interactions energy: -479.875
where: short stacking energy: -292.820
Base-Backbone interact. energy: 0.237
local terms energy: -436.593859
where:
bonds (distance) C4'-P energy: -106.947
bonds (distance) P-C4' energy: -140.562
flat angles C4'-P-C4' energy: -105.836
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -19.636
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: 9
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -854.274890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.274890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.274890 (E_RNA)
where:
Base-Base interactions energy: -421.291
where: short stacking energy: -238.903
Base-Backbone interact. energy: 0.836
local terms energy: -433.819457
where:
bonds (distance) C4'-P energy: -126.774
bonds (distance) P-C4' energy: -134.070
flat angles C4'-P-C4' energy: -119.832
flat angles P-C4'-P energy: -48.006
tors. eta vs tors. theta energy: -5.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -679.374166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.374166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.374166 (E_RNA)
where:
Base-Base interactions energy: -268.059
where: short stacking energy: -186.969
Base-Backbone interact. energy: -1.645
local terms energy: -409.670727
where:
bonds (distance) C4'-P energy: -119.840
bonds (distance) P-C4' energy: -135.791
flat angles C4'-P-C4' energy: -105.983
flat angles P-C4'-P energy: -68.020
tors. eta vs tors. theta energy: 19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -574.998094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.998094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.998094 (E_RNA)
where:
Base-Base interactions energy: -197.721
where: short stacking energy: -143.916
Base-Backbone interact. energy: 1.846
local terms energy: -379.122832
where:
bonds (distance) C4'-P energy: -128.308
bonds (distance) P-C4' energy: -131.852
flat angles C4'-P-C4' energy: -91.756
flat angles P-C4'-P energy: -53.567
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: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -2047.953191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.953191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.953191 (E_RNA)
where:
Base-Base interactions energy: -1318.700
where: short stacking energy: -569.435
Base-Backbone interact. energy: -1.258
local terms energy: -727.995620
where:
bonds (distance) C4'-P energy: -152.211
bonds (distance) P-C4' energy: -157.220
flat angles C4'-P-C4' energy: -171.833
flat angles P-C4'-P energy: -104.188
tors. eta vs tors. theta energy: -142.544
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: 21
Temperature: 0.950000
Total energy: -1866.929643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.929643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.929643 (E_RNA)
where:
Base-Base interactions energy: -1173.691
where: short stacking energy: -576.588
Base-Backbone interact. energy: -1.998
local terms energy: -691.240851
where:
bonds (distance) C4'-P energy: -130.259
bonds (distance) P-C4' energy: -142.462
flat angles C4'-P-C4' energy: -166.991
flat angles P-C4'-P energy: -104.015
tors. eta vs tors. theta energy: -147.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1571.697146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.697146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.697146 (E_RNA)
where:
Base-Base interactions energy: -938.062
where: short stacking energy: -463.583
Base-Backbone interact. energy: -2.358
local terms energy: -631.276331
where:
bonds (distance) C4'-P energy: -150.861
bonds (distance) P-C4' energy: -138.943
flat angles C4'-P-C4' energy: -126.997
flat angles P-C4'-P energy: -103.545
tors. eta vs tors. theta energy: -110.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1669.277580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.277580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.277580 (E_RNA)
where:
Base-Base interactions energy: -1024.547
where: short stacking energy: -537.235
Base-Backbone interact. energy: -2.401
local terms energy: -642.330244
where:
bonds (distance) C4'-P energy: -134.579
bonds (distance) P-C4' energy: -129.123
flat angles C4'-P-C4' energy: -144.821
flat angles P-C4'-P energy: -98.228
tors. eta vs tors. theta energy: -135.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1354.156914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.156914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.156914 (E_RNA)
where:
Base-Base interactions energy: -774.618
where: short stacking energy: -419.616
Base-Backbone interact. energy: -0.395
local terms energy: -579.143724
where:
bonds (distance) C4'-P energy: -122.361
bonds (distance) P-C4' energy: -148.078
flat angles C4'-P-C4' energy: -142.629
flat angles P-C4'-P energy: -76.042
tors. eta vs tors. theta energy: -90.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1350.162769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.162769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.162769 (E_RNA)
where:
Base-Base interactions energy: -818.645
where: short stacking energy: -401.807
Base-Backbone interact. energy: 3.827
local terms energy: -535.344276
where:
bonds (distance) C4'-P energy: -123.952
bonds (distance) P-C4' energy: -132.205
flat angles C4'-P-C4' energy: -135.905
flat angles P-C4'-P energy: -69.487
tors. eta vs tors. theta energy: -73.795
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: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -919.277957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.277957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.277957 (E_RNA)
where:
Base-Base interactions energy: -435.251
where: short stacking energy: -250.025
Base-Backbone interact. energy: 7.647
local terms energy: -491.674559
where:
bonds (distance) C4'-P energy: -133.769
bonds (distance) P-C4' energy: -139.600
flat angles C4'-P-C4' energy: -137.702
flat angles P-C4'-P energy: -63.399
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: 8, replica: 9
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -837.973496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.973496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.973496 (E_RNA)
where:
Base-Base interactions energy: -381.568
where: short stacking energy: -220.182
Base-Backbone interact. energy: -1.134
local terms energy: -455.271473
where:
bonds (distance) C4'-P energy: -145.604
bonds (distance) P-C4' energy: -140.031
flat angles C4'-P-C4' energy: -106.556
flat angles P-C4'-P energy: -64.171
tors. eta vs tors. theta energy: 1.090
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: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -705.339292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.339292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.339292 (E_RNA)
where:
Base-Base interactions energy: -321.577
where: short stacking energy: -190.266
Base-Backbone interact. energy: 3.439
local terms energy: -387.201872
where:
bonds (distance) C4'-P energy: -111.037
bonds (distance) P-C4' energy: -129.688
flat angles C4'-P-C4' energy: -85.784
flat angles P-C4'-P energy: -77.241
tors. eta vs tors. theta energy: 16.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -538.787618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.787618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.787618 (E_RNA)
where:
Base-Base interactions energy: -159.657
where: short stacking energy: -110.325
Base-Backbone interact. energy: -3.091
local terms energy: -376.039192
where:
bonds (distance) C4'-P energy: -118.422
bonds (distance) P-C4' energy: -124.856
flat angles C4'-P-C4' energy: -92.633
flat angles P-C4'-P energy: -76.142
tors. eta vs tors. theta energy: 36.013
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: 22
Temperature: 0.900000
Total energy: -2075.794980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.794980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.794980 (E_RNA)
where:
Base-Base interactions energy: -1350.023
where: short stacking energy: -581.750
Base-Backbone interact. energy: -0.455
local terms energy: -725.316701
where:
bonds (distance) C4'-P energy: -148.990
bonds (distance) P-C4' energy: -158.488
flat angles C4'-P-C4' energy: -162.936
flat angles P-C4'-P energy: -95.430
tors. eta vs tors. theta energy: -159.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1873.809571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.809571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.809571 (E_RNA)
where:
Base-Base interactions energy: -1192.295
where: short stacking energy: -556.343
Base-Backbone interact. energy: -7.217
local terms energy: -674.298020
where:
bonds (distance) C4'-P energy: -143.962
bonds (distance) P-C4' energy: -153.926
flat angles C4'-P-C4' energy: -154.482
flat angles P-C4'-P energy: -84.228
tors. eta vs tors. theta energy: -137.700
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: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1804.466861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.466861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.466861 (E_RNA)
where:
Base-Base interactions energy: -1105.140
where: short stacking energy: -540.783
Base-Backbone interact. energy: 0.058
local terms energy: -699.384527
where:
bonds (distance) C4'-P energy: -143.868
bonds (distance) P-C4' energy: -150.287
flat angles C4'-P-C4' energy: -157.945
flat angles P-C4'-P energy: -97.248
tors. eta vs tors. theta energy: -150.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1552.820526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.820526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.820526 (E_RNA)
where:
Base-Base interactions energy: -948.713
where: short stacking energy: -452.544
Base-Backbone interact. energy: -2.603
local terms energy: -601.504875
where:
bonds (distance) C4'-P energy: -134.691
bonds (distance) P-C4' energy: -118.275
flat angles C4'-P-C4' energy: -144.025
flat angles P-C4'-P energy: -88.879
tors. eta vs tors. theta energy: -115.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1423.944554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.944554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.944554 (E_RNA)
where:
Base-Base interactions energy: -857.266
where: short stacking energy: -423.670
Base-Backbone interact. energy: 5.641
local terms energy: -572.319523
where:
bonds (distance) C4'-P energy: -122.533
bonds (distance) P-C4' energy: -144.006
flat angles C4'-P-C4' energy: -132.662
flat angles P-C4'-P energy: -91.225
tors. eta vs tors. theta energy: -81.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1243.687144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.687144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.687144 (E_RNA)
where:
Base-Base interactions energy: -683.460
where: short stacking energy: -350.695
Base-Backbone interact. energy: 3.151
local terms energy: -563.378137
where:
bonds (distance) C4'-P energy: -145.534
bonds (distance) P-C4' energy: -127.731
flat angles C4'-P-C4' energy: -124.873
flat angles P-C4'-P energy: -86.024
tors. eta vs tors. theta energy: -79.216
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: 7, replica: 9
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -1028.487195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.487195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.487195 (E_RNA)
where:
Base-Base interactions energy: -551.706
where: short stacking energy: -279.130
Base-Backbone interact. energy: 0.128
local terms energy: -476.908521
where:
bonds (distance) C4'-P energy: -132.251
bonds (distance) P-C4' energy: -135.802
flat angles C4'-P-C4' energy: -128.787
flat angles P-C4'-P energy: -52.056
tors. eta vs tors. theta energy: -28.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -845.099245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.099245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.099245 (E_RNA)
where:
Base-Base interactions energy: -381.732
where: short stacking energy: -206.863
Base-Backbone interact. energy: 0.222
local terms energy: -463.588457
where:
bonds (distance) C4'-P energy: -132.698
bonds (distance) P-C4' energy: -135.460
flat angles C4'-P-C4' energy: -128.482
flat angles P-C4'-P energy: -69.387
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -633.056771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.056771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.056771 (E_RNA)
where:
Base-Base interactions energy: -231.589
where: short stacking energy: -176.230
Base-Backbone interact. energy: -0.325
local terms energy: -401.142573
where:
bonds (distance) C4'-P energy: -138.200
bonds (distance) P-C4' energy: -109.118
flat angles C4'-P-C4' energy: -96.867
flat angles P-C4'-P energy: -74.311
tors. eta vs tors. theta energy: 17.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -661.990940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.990940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.990940 (E_RNA)
where:
Base-Base interactions energy: -288.202
where: short stacking energy: -182.614
Base-Backbone interact. energy: 10.038
local terms energy: -383.827064
where:
bonds (distance) C4'-P energy: -98.547
bonds (distance) P-C4' energy: -135.729
flat angles C4'-P-C4' energy: -110.915
flat angles P-C4'-P energy: -59.855
tors. eta vs tors. theta energy: 21.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -2108.777225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.777225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.777225 (E_RNA)
where:
Base-Base interactions energy: -1385.579
where: short stacking energy: -606.604
Base-Backbone interact. energy: -1.691
local terms energy: -721.507465
where:
bonds (distance) C4'-P energy: -148.758
bonds (distance) P-C4' energy: -140.736
flat angles C4'-P-C4' energy: -166.264
flat angles P-C4'-P energy: -99.896
tors. eta vs tors. theta energy: -165.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1846.777254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.777254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.777254 (E_RNA)
where:
Base-Base interactions energy: -1176.475
where: short stacking energy: -562.490
Base-Backbone interact. energy: -4.700
local terms energy: -665.601652
where:
bonds (distance) C4'-P energy: -138.954
bonds (distance) P-C4' energy: -141.790
flat angles C4'-P-C4' energy: -150.802
flat angles P-C4'-P energy: -98.304
tors. eta vs tors. theta energy: -135.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1913.834387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.834387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.834387 (E_RNA)
where:
Base-Base interactions energy: -1197.468
where: short stacking energy: -593.737
Base-Backbone interact. energy: -1.526
local terms energy: -714.841024
where:
bonds (distance) C4'-P energy: -141.370
bonds (distance) P-C4' energy: -149.478
flat angles C4'-P-C4' energy: -165.930
flat angles P-C4'-P energy: -100.988
tors. eta vs tors. theta energy: -157.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1580.945417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.945417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.945417 (E_RNA)
where:
Base-Base interactions energy: -935.316
where: short stacking energy: -455.895
Base-Backbone interact. energy: 2.195
local terms energy: -647.824894
where:
bonds (distance) C4'-P energy: -146.195
bonds (distance) P-C4' energy: -150.377
flat angles C4'-P-C4' energy: -150.610
flat angles P-C4'-P energy: -90.813
tors. eta vs tors. theta energy: -109.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1444.229401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.229401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.229401 (E_RNA)
where:
Base-Base interactions energy: -844.828
where: short stacking energy: -406.757
Base-Backbone interact. energy: -2.553
local terms energy: -596.848249
where:
bonds (distance) C4'-P energy: -164.023
bonds (distance) P-C4' energy: -147.498
flat angles C4'-P-C4' energy: -128.540
flat angles P-C4'-P energy: -85.143
tors. eta vs tors. theta energy: -71.644
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: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1203.399744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.399744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.399744 (E_RNA)
where:
Base-Base interactions energy: -655.359
where: short stacking energy: -315.441
Base-Backbone interact. energy: 0.090
local terms energy: -548.129974
where:
bonds (distance) C4'-P energy: -121.561
bonds (distance) P-C4' energy: -141.309
flat angles C4'-P-C4' energy: -145.970
flat angles P-C4'-P energy: -92.873
tors. eta vs tors. theta energy: -46.418
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: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1161.678515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.678515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.678515 (E_RNA)
where:
Base-Base interactions energy: -642.874
where: short stacking energy: -299.197
Base-Backbone interact. energy: -2.633
local terms energy: -516.172300
where:
bonds (distance) C4'-P energy: -128.045
bonds (distance) P-C4' energy: -143.289
flat angles C4'-P-C4' energy: -138.910
flat angles P-C4'-P energy: -62.611
tors. eta vs tors. theta energy: -43.317
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: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -835.414489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.414489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.414489 (E_RNA)
where:
Base-Base interactions energy: -396.115
where: short stacking energy: -252.191
Base-Backbone interact. energy: -3.379
local terms energy: -435.921079
where:
bonds (distance) C4'-P energy: -127.527
bonds (distance) P-C4' energy: -136.033
flat angles C4'-P-C4' energy: -94.176
flat angles P-C4'-P energy: -62.612
tors. eta vs tors. theta energy: -15.573
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: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -640.277292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.277292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.277292 (E_RNA)
where:
Base-Base interactions energy: -248.974
where: short stacking energy: -184.239
Base-Backbone interact. energy: -0.782
local terms energy: -390.521164
where:
bonds (distance) C4'-P energy: -113.315
bonds (distance) P-C4' energy: -127.563
flat angles C4'-P-C4' energy: -110.383
flat angles P-C4'-P energy: -60.037
tors. eta vs tors. theta energy: 20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -615.360238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.360238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.360238 (E_RNA)
where:
Base-Base interactions energy: -243.992
where: short stacking energy: -178.787
Base-Backbone interact. energy: 0.710
local terms energy: -372.078467
where:
bonds (distance) C4'-P energy: -120.550
bonds (distance) P-C4' energy: -115.477
flat angles C4'-P-C4' energy: -108.583
flat angles P-C4'-P energy: -48.861
tors. eta vs tors. theta energy: 21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -2093.883851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.883851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.883851 (E_RNA)
where:
Base-Base interactions energy: -1390.164
where: short stacking energy: -612.553
Base-Backbone interact. energy: 1.288
local terms energy: -705.008163
where:
bonds (distance) C4'-P energy: -157.028
bonds (distance) P-C4' energy: -139.081
flat angles C4'-P-C4' energy: -156.294
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -160.892
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: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1883.612421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.612421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.612421 (E_RNA)
where:
Base-Base interactions energy: -1216.993
where: short stacking energy: -545.594
Base-Backbone interact. energy: -2.839
local terms energy: -663.779979
where:
bonds (distance) C4'-P energy: -134.639
bonds (distance) P-C4' energy: -144.921
flat angles C4'-P-C4' energy: -144.860
flat angles P-C4'-P energy: -107.493
tors. eta vs tors. theta energy: -131.866
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: 3, replica: 4
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1931.555613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.555613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.555613 (E_RNA)
where:
Base-Base interactions energy: -1231.389
where: short stacking energy: -547.748
Base-Backbone interact. energy: -0.793
local terms energy: -699.373244
where:
bonds (distance) C4'-P energy: -152.221
bonds (distance) P-C4' energy: -158.584
flat angles C4'-P-C4' energy: -143.941
flat angles P-C4'-P energy: -96.916
tors. eta vs tors. theta energy: -147.712
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: 10
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1636.143926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.143926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.143926 (E_RNA)
where:
Base-Base interactions energy: -1019.917
where: short stacking energy: -510.141
Base-Backbone interact. energy: -0.684
local terms energy: -615.543218
where:
bonds (distance) C4'-P energy: -117.161
bonds (distance) P-C4' energy: -142.834
flat angles C4'-P-C4' energy: -160.738
flat angles P-C4'-P energy: -82.555
tors. eta vs tors. theta energy: -112.255
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: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1305.839793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.839793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.839793 (E_RNA)
where:
Base-Base interactions energy: -737.631
where: short stacking energy: -368.484
Base-Backbone interact. energy: -0.739
local terms energy: -567.469712
where:
bonds (distance) C4'-P energy: -130.958
bonds (distance) P-C4' energy: -146.922
flat angles C4'-P-C4' energy: -138.441
flat angles P-C4'-P energy: -76.858
tors. eta vs tors. theta energy: -74.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1177.369606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.369606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.369606 (E_RNA)
where:
Base-Base interactions energy: -650.357
where: short stacking energy: -338.915
Base-Backbone interact. energy: 0.594
local terms energy: -527.606558
where:
bonds (distance) C4'-P energy: -125.736
bonds (distance) P-C4' energy: -133.021
flat angles C4'-P-C4' energy: -139.937
flat angles P-C4'-P energy: -85.718
tors. eta vs tors. theta energy: -43.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1190.770905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.770905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.770905 (E_RNA)
where:
Base-Base interactions energy: -684.855
where: short stacking energy: -371.380
Base-Backbone interact. energy: -3.017
local terms energy: -502.898801
where:
bonds (distance) C4'-P energy: -119.828
bonds (distance) P-C4' energy: -141.257
flat angles C4'-P-C4' energy: -128.257
flat angles P-C4'-P energy: -64.561
tors. eta vs tors. theta energy: -48.996
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: 7
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -853.305190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.305190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.305190 (E_RNA)
where:
Base-Base interactions energy: -411.289
where: short stacking energy: -253.217
Base-Backbone interact. energy: 0.323
local terms energy: -442.339882
where:
bonds (distance) C4'-P energy: -125.553
bonds (distance) P-C4' energy: -147.710
flat angles C4'-P-C4' energy: -119.619
flat angles P-C4'-P energy: -45.952
tors. eta vs tors. theta energy: -3.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -687.157464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.157464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.157464 (E_RNA)
where:
Base-Base interactions energy: -295.599
where: short stacking energy: -197.170
Base-Backbone interact. energy: 1.336
local terms energy: -392.894537
where:
bonds (distance) C4'-P energy: -121.336
bonds (distance) P-C4' energy: -138.821
flat angles C4'-P-C4' energy: -91.455
flat angles P-C4'-P energy: -68.867
tors. eta vs tors. theta energy: 27.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -553.344976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.344976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.344976 (E_RNA)
where:
Base-Base interactions energy: -188.239
where: short stacking energy: -155.407
Base-Backbone interact. energy: 3.701
local terms energy: -368.807232
where:
bonds (distance) C4'-P energy: -106.736
bonds (distance) P-C4' energy: -129.807
flat angles C4'-P-C4' energy: -98.463
flat angles P-C4'-P energy: -54.866
tors. eta vs tors. theta energy: 21.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -2129.522693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.522693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.522693 (E_RNA)
where:
Base-Base interactions energy: -1413.484
where: short stacking energy: -622.474
Base-Backbone interact. energy: -0.667
local terms energy: -715.370765
where:
bonds (distance) C4'-P energy: -138.412
bonds (distance) P-C4' energy: -149.803
flat angles C4'-P-C4' energy: -173.882
flat angles P-C4'-P energy: -89.374
tors. eta vs tors. theta energy: -163.901
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: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1999.663546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.663546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.663546 (E_RNA)
where:
Base-Base interactions energy: -1259.670
where: short stacking energy: -635.114
Base-Backbone interact. energy: -3.613
local terms energy: -736.380541
where:
bonds (distance) C4'-P energy: -145.095
bonds (distance) P-C4' energy: -146.537
flat angles C4'-P-C4' energy: -164.740
flat angles P-C4'-P energy: -100.592
tors. eta vs tors. theta energy: -179.417
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: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1864.504042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.504042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.504042 (E_RNA)
where:
Base-Base interactions energy: -1164.108
where: short stacking energy: -588.611
Base-Backbone interact. energy: -2.470
local terms energy: -697.925887
where:
bonds (distance) C4'-P energy: -139.647
bonds (distance) P-C4' energy: -155.577
flat angles C4'-P-C4' energy: -163.016
flat angles P-C4'-P energy: -95.473
tors. eta vs tors. theta energy: -144.213
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: 25
Temperature: 1.050000
Total energy: -1625.084030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.084030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.084030 (E_RNA)
where:
Base-Base interactions energy: -970.065
where: short stacking energy: -510.822
Base-Backbone interact. energy: -1.223
local terms energy: -653.795576
where:
bonds (distance) C4'-P energy: -136.274
bonds (distance) P-C4' energy: -151.177
flat angles C4'-P-C4' energy: -156.528
flat angles P-C4'-P energy: -91.096
tors. eta vs tors. theta energy: -118.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1348.743394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.743394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.743394 (E_RNA)
where:
Base-Base interactions energy: -811.585
where: short stacking energy: -418.279
Base-Backbone interact. energy: 1.955
local terms energy: -539.113443
where:
bonds (distance) C4'-P energy: -114.574
bonds (distance) P-C4' energy: -136.433
flat angles C4'-P-C4' energy: -131.113
flat angles P-C4'-P energy: -76.665
tors. eta vs tors. theta energy: -80.329
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: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1251.627296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.627296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.627296 (E_RNA)
where:
Base-Base interactions energy: -752.395
where: short stacking energy: -355.955
Base-Backbone interact. energy: 4.233
local terms energy: -503.464966
where:
bonds (distance) C4'-P energy: -101.041
bonds (distance) P-C4' energy: -137.234
flat angles C4'-P-C4' energy: -136.208
flat angles P-C4'-P energy: -81.784
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1186.866973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.866973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.866973 (E_RNA)
where:
Base-Base interactions energy: -616.535
where: short stacking energy: -365.595
Base-Backbone interact. energy: 1.619
local terms energy: -571.951311
where:
bonds (distance) C4'-P energy: -143.502
bonds (distance) P-C4' energy: -124.085
flat angles C4'-P-C4' energy: -154.174
flat angles P-C4'-P energy: -76.788
tors. eta vs tors. theta energy: -73.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -812.089279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.089279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.089279 (E_RNA)
where:
Base-Base interactions energy: -365.298
where: short stacking energy: -216.198
Base-Backbone interact. energy: 5.432
local terms energy: -452.223479
where:
bonds (distance) C4'-P energy: -118.300
bonds (distance) P-C4' energy: -148.807
flat angles C4'-P-C4' energy: -135.728
flat angles P-C4'-P energy: -59.974
tors. eta vs tors. theta energy: 10.586
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: 9, replica: 7
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -753.754134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.754134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.754134 (E_RNA)
where:
Base-Base interactions energy: -345.952
where: short stacking energy: -206.087
Base-Backbone interact. energy: 1.647
local terms energy: -409.448985
where:
bonds (distance) C4'-P energy: -106.989
bonds (distance) P-C4' energy: -146.059
flat angles C4'-P-C4' energy: -125.698
flat angles P-C4'-P energy: -42.942
tors. eta vs tors. theta energy: 12.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -601.172677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.172677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.172677 (E_RNA)
where:
Base-Base interactions energy: -233.528
where: short stacking energy: -138.957
Base-Backbone interact. energy: 0.406
local terms energy: -368.051512
where:
bonds (distance) C4'-P energy: -116.133
bonds (distance) P-C4' energy: -121.459
flat angles C4'-P-C4' energy: -99.575
flat angles P-C4'-P energy: -44.765
tors. eta vs tors. theta energy: 13.880
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: 26
Temperature: 0.900000
Total energy: -2098.192762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.192762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.192762 (E_RNA)
where:
Base-Base interactions energy: -1362.230
where: short stacking energy: -604.759
Base-Backbone interact. energy: -0.128
local terms energy: -735.835428
where:
bonds (distance) C4'-P energy: -155.642
bonds (distance) P-C4' energy: -158.257
flat angles C4'-P-C4' energy: -169.653
flat angles P-C4'-P energy: -79.486
tors. eta vs tors. theta energy: -172.798
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: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -2023.489320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.489320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.489320 (E_RNA)
where:
Base-Base interactions energy: -1281.076
where: short stacking energy: -636.264
Base-Backbone interact. energy: -1.932
local terms energy: -740.481958
where:
bonds (distance) C4'-P energy: -142.977
bonds (distance) P-C4' energy: -142.569
flat angles C4'-P-C4' energy: -175.428
flat angles P-C4'-P energy: -97.809
tors. eta vs tors. theta energy: -181.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1843.694298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.694298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.694298 (E_RNA)
where:
Base-Base interactions energy: -1154.667
where: short stacking energy: -565.747
Base-Backbone interact. energy: -3.711
local terms energy: -685.316113
where:
bonds (distance) C4'-P energy: -148.075
bonds (distance) P-C4' energy: -136.295
flat angles C4'-P-C4' energy: -157.941
flat angles P-C4'-P energy: -98.525
tors. eta vs tors. theta energy: -144.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1652.721957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.721957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.721957 (E_RNA)
where:
Base-Base interactions energy: -996.846
where: short stacking energy: -494.653
Base-Backbone interact. energy: -2.051
local terms energy: -653.824439
where:
bonds (distance) C4'-P energy: -139.900
bonds (distance) P-C4' energy: -134.172
flat angles C4'-P-C4' energy: -163.671
flat angles P-C4'-P energy: -92.283
tors. eta vs tors. theta energy: -123.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1333.045482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.045482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.045482 (E_RNA)
where:
Base-Base interactions energy: -778.273
where: short stacking energy: -418.881
Base-Backbone interact. energy: -3.902
local terms energy: -550.870716
where:
bonds (distance) C4'-P energy: -123.694
bonds (distance) P-C4' energy: -140.561
flat angles C4'-P-C4' energy: -135.799
flat angles P-C4'-P energy: -62.090
tors. eta vs tors. theta energy: -88.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1170.833082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.833082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.833082 (E_RNA)
where:
Base-Base interactions energy: -622.738
where: short stacking energy: -328.126
Base-Backbone interact. energy: -1.918
local terms energy: -546.177087
where:
bonds (distance) C4'-P energy: -121.237
bonds (distance) P-C4' energy: -125.841
flat angles C4'-P-C4' energy: -152.461
flat angles P-C4'-P energy: -91.251
tors. eta vs tors. theta energy: -55.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1102.749226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.749226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.749226 (E_RNA)
where:
Base-Base interactions energy: -605.140
where: short stacking energy: -307.023
Base-Backbone interact. energy: -0.966
local terms energy: -496.643462
where:
bonds (distance) C4'-P energy: -110.818
bonds (distance) P-C4' energy: -152.708
flat angles C4'-P-C4' energy: -123.126
flat angles P-C4'-P energy: -75.262
tors. eta vs tors. theta energy: -34.729
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: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -855.926514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.926514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.926514 (E_RNA)
where:
Base-Base interactions energy: -417.971
where: short stacking energy: -266.833
Base-Backbone interact. energy: -3.223
local terms energy: -434.732897
where:
bonds (distance) C4'-P energy: -99.873
bonds (distance) P-C4' energy: -120.065
flat angles C4'-P-C4' energy: -135.454
flat angles P-C4'-P energy: -54.177
tors. eta vs tors. theta energy: -25.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -750.579418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.579418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.579418 (E_RNA)
where:
Base-Base interactions energy: -354.576
where: short stacking energy: -216.102
Base-Backbone interact. energy: -2.130
local terms energy: -393.873178
where:
bonds (distance) C4'-P energy: -111.060
bonds (distance) P-C4' energy: -117.199
flat angles C4'-P-C4' energy: -117.283
flat angles P-C4'-P energy: -57.672
tors. eta vs tors. theta energy: 9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -622.171303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.171303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.171303 (E_RNA)
where:
Base-Base interactions energy: -224.684
where: short stacking energy: -152.749
Base-Backbone interact. energy: 8.534
local terms energy: -406.021275
where:
bonds (distance) C4'-P energy: -118.970
bonds (distance) P-C4' energy: -131.519
flat angles C4'-P-C4' energy: -118.187
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: 33.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -2124.628578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.628578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.628578 (E_RNA)
where:
Base-Base interactions energy: -1410.085
where: short stacking energy: -598.965
Base-Backbone interact. energy: -1.006
local terms energy: -713.537838
where:
bonds (distance) C4'-P energy: -147.094
bonds (distance) P-C4' energy: -160.010
flat angles C4'-P-C4' energy: -148.929
flat angles P-C4'-P energy: -100.465
tors. eta vs tors. theta energy: -157.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -2049.664141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.664141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.664141 (E_RNA)
where:
Base-Base interactions energy: -1312.560
where: short stacking energy: -614.559
Base-Backbone interact. energy: -2.665
local terms energy: -734.439558
where:
bonds (distance) C4'-P energy: -143.250
bonds (distance) P-C4' energy: -159.641
flat angles C4'-P-C4' energy: -155.561
flat angles P-C4'-P energy: -111.469
tors. eta vs tors. theta energy: -164.518
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: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1850.017248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.017248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.017248 (E_RNA)
where:
Base-Base interactions energy: -1147.476
where: short stacking energy: -525.266
Base-Backbone interact. energy: 1.809
local terms energy: -704.350364
where:
bonds (distance) C4'-P energy: -140.275
bonds (distance) P-C4' energy: -142.464
flat angles C4'-P-C4' energy: -162.554
flat angles P-C4'-P energy: -103.796
tors. eta vs tors. theta energy: -155.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1612.577615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.577615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.577615 (E_RNA)
where:
Base-Base interactions energy: -961.444
where: short stacking energy: -460.220
Base-Backbone interact. energy: -3.122
local terms energy: -648.010769
where:
bonds (distance) C4'-P energy: -130.163
bonds (distance) P-C4' energy: -152.296
flat angles C4'-P-C4' energy: -149.389
flat angles P-C4'-P energy: -107.587
tors. eta vs tors. theta energy: -108.575
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: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1442.140465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.140465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.140465 (E_RNA)
where:
Base-Base interactions energy: -854.173
where: short stacking energy: -425.126
Base-Backbone interact. energy: -1.832
local terms energy: -586.134668
where:
bonds (distance) C4'-P energy: -137.348
bonds (distance) P-C4' energy: -143.630
flat angles C4'-P-C4' energy: -133.321
flat angles P-C4'-P energy: -80.816
tors. eta vs tors. theta energy: -91.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1173.334578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.334578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.334578 (E_RNA)
where:
Base-Base interactions energy: -669.588
where: short stacking energy: -357.606
Base-Backbone interact. energy: 3.969
local terms energy: -507.715738
where:
bonds (distance) C4'-P energy: -126.641
bonds (distance) P-C4' energy: -126.367
flat angles C4'-P-C4' energy: -131.056
flat angles P-C4'-P energy: -81.475
tors. eta vs tors. theta energy: -42.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -1159.684966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.684966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.684966 (E_RNA)
where:
Base-Base interactions energy: -653.941
where: short stacking energy: -374.359
Base-Backbone interact. energy: 2.542
local terms energy: -508.285512
where:
bonds (distance) C4'-P energy: -119.328
bonds (distance) P-C4' energy: -126.151
flat angles C4'-P-C4' energy: -121.050
flat angles P-C4'-P energy: -69.469
tors. eta vs tors. theta energy: -72.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -893.213981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.213981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.213981 (E_RNA)
where:
Base-Base interactions energy: -449.437
where: short stacking energy: -266.267
Base-Backbone interact. energy: 5.350
local terms energy: -449.127228
where:
bonds (distance) C4'-P energy: -125.357
bonds (distance) P-C4' energy: -131.157
flat angles C4'-P-C4' energy: -110.821
flat angles P-C4'-P energy: -58.477
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -740.328759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.328759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.328759 (E_RNA)
where:
Base-Base interactions energy: -326.910
where: short stacking energy: -202.371
Base-Backbone interact. energy: 1.357
local terms energy: -414.775997
where:
bonds (distance) C4'-P energy: -123.090
bonds (distance) P-C4' energy: -121.628
flat angles C4'-P-C4' energy: -102.497
flat angles P-C4'-P energy: -73.589
tors. eta vs tors. theta energy: 6.029
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: 27
Temperature: 1.350000
Total energy: -650.593552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.593552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.593552 (E_RNA)
where:
Base-Base interactions energy: -280.438
where: short stacking energy: -184.299
Base-Backbone interact. energy: 1.279
local terms energy: -371.434935
where:
bonds (distance) C4'-P energy: -107.685
bonds (distance) P-C4' energy: -127.445
flat angles C4'-P-C4' energy: -102.024
flat angles P-C4'-P energy: -59.230
tors. eta vs tors. theta energy: 24.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -2105.146873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.146873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.146873 (E_RNA)
where:
Base-Base interactions energy: -1346.212
where: short stacking energy: -602.227
Base-Backbone interact. energy: -0.979
local terms energy: -757.955956
where:
bonds (distance) C4'-P energy: -156.293
bonds (distance) P-C4' energy: -166.962
flat angles C4'-P-C4' energy: -164.300
flat angles P-C4'-P energy: -96.005
tors. eta vs tors. theta energy: -174.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1996.410375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.410375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.410375 (E_RNA)
where:
Base-Base interactions energy: -1262.839
where: short stacking energy: -606.546
Base-Backbone interact. energy: -1.699
local terms energy: -731.872948
where:
bonds (distance) C4'-P energy: -142.306
bonds (distance) P-C4' energy: -153.523
flat angles C4'-P-C4' energy: -164.475
flat angles P-C4'-P energy: -97.682
tors. eta vs tors. theta energy: -173.887
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: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1806.780044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.780044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.780044 (E_RNA)
where:
Base-Base interactions energy: -1131.580
where: short stacking energy: -553.334
Base-Backbone interact. energy: 0.507
local terms energy: -675.707360
where:
bonds (distance) C4'-P energy: -141.060
bonds (distance) P-C4' energy: -145.173
flat angles C4'-P-C4' energy: -149.318
flat angles P-C4'-P energy: -105.983
tors. eta vs tors. theta energy: -134.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1586.098006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.098006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.098006 (E_RNA)
where:
Base-Base interactions energy: -934.720
where: short stacking energy: -476.493
Base-Backbone interact. energy: -2.768
local terms energy: -648.609882
where:
bonds (distance) C4'-P energy: -135.078
bonds (distance) P-C4' energy: -138.035
flat angles C4'-P-C4' energy: -138.753
flat angles P-C4'-P energy: -113.982
tors. eta vs tors. theta energy: -122.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1510.347530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.347530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.347530 (E_RNA)
where:
Base-Base interactions energy: -908.183
where: short stacking energy: -425.962
Base-Backbone interact. energy: -3.607
local terms energy: -598.557864
where:
bonds (distance) C4'-P energy: -130.790
bonds (distance) P-C4' energy: -132.126
flat angles C4'-P-C4' energy: -148.424
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -106.370
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1097.235512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.235512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.235512 (E_RNA)
where:
Base-Base interactions energy: -541.191
where: short stacking energy: -336.705
Base-Backbone interact. energy: 5.322
local terms energy: -561.365721
where:
bonds (distance) C4'-P energy: -130.166
bonds (distance) P-C4' energy: -150.134
flat angles C4'-P-C4' energy: -134.900
flat angles P-C4'-P energy: -87.368
tors. eta vs tors. theta energy: -58.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1089.884514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.884514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.884514 (E_RNA)
where:
Base-Base interactions energy: -586.727
where: short stacking energy: -306.108
Base-Backbone interact. energy: 1.763
local terms energy: -504.920794
where:
bonds (distance) C4'-P energy: -109.947
bonds (distance) P-C4' energy: -134.423
flat angles C4'-P-C4' energy: -131.006
flat angles P-C4'-P energy: -84.162
tors. eta vs tors. theta energy: -45.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -889.945160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.945160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.945160 (E_RNA)
where:
Base-Base interactions energy: -443.789
where: short stacking energy: -263.446
Base-Backbone interact. energy: -4.564
local terms energy: -441.591885
where:
bonds (distance) C4'-P energy: -120.668
bonds (distance) P-C4' energy: -130.299
flat angles C4'-P-C4' energy: -108.321
flat angles P-C4'-P energy: -70.779
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -799.503904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.503904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.503904 (E_RNA)
where:
Base-Base interactions energy: -359.594
where: short stacking energy: -197.293
Base-Backbone interact. energy: -0.258
local terms energy: -439.651169
where:
bonds (distance) C4'-P energy: -137.824
bonds (distance) P-C4' energy: -129.334
flat angles C4'-P-C4' energy: -101.491
flat angles P-C4'-P energy: -75.293
tors. eta vs tors. theta energy: 4.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -624.327520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.327520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.327520 (E_RNA)
where:
Base-Base interactions energy: -251.064
where: short stacking energy: -175.666
Base-Backbone interact. energy: -0.359
local terms energy: -372.903641
where:
bonds (distance) C4'-P energy: -112.287
bonds (distance) P-C4' energy: -147.029
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: 16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -2114.215065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.215065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.215065 (E_RNA)
where:
Base-Base interactions energy: -1374.893
where: short stacking energy: -572.351
Base-Backbone interact. energy: -2.448
local terms energy: -736.874013
where:
bonds (distance) C4'-P energy: -162.222
bonds (distance) P-C4' energy: -140.661
flat angles C4'-P-C4' energy: -161.959
flat angles P-C4'-P energy: -107.630
tors. eta vs tors. theta energy: -164.402
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: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -2032.558902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.558902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.558902 (E_RNA)
where:
Base-Base interactions energy: -1284.656
where: short stacking energy: -630.406
Base-Backbone interact. energy: -3.420
local terms energy: -744.482850
where:
bonds (distance) C4'-P energy: -148.067
bonds (distance) P-C4' energy: -146.756
flat angles C4'-P-C4' energy: -167.793
flat angles P-C4'-P energy: -94.460
tors. eta vs tors. theta energy: -187.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1824.872001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.872001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.872001 (E_RNA)
where:
Base-Base interactions energy: -1168.686
where: short stacking energy: -508.579
Base-Backbone interact. energy: -5.384
local terms energy: -650.802424
where:
bonds (distance) C4'-P energy: -136.360
bonds (distance) P-C4' energy: -145.286
flat angles C4'-P-C4' energy: -157.914
flat angles P-C4'-P energy: -83.807
tors. eta vs tors. theta energy: -127.435
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: 29
Temperature: 1.050000
Total energy: -1583.445255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.445255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.445255 (E_RNA)
where:
Base-Base interactions energy: -954.443
where: short stacking energy: -485.419
Base-Backbone interact. energy: -3.411
local terms energy: -625.591293
where:
bonds (distance) C4'-P energy: -144.547
bonds (distance) P-C4' energy: -150.168
flat angles C4'-P-C4' energy: -142.363
flat angles P-C4'-P energy: -85.354
tors. eta vs tors. theta energy: -103.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1602.133666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.133666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.133666 (E_RNA)
where:
Base-Base interactions energy: -998.563
where: short stacking energy: -454.984
Base-Backbone interact. energy: -1.469
local terms energy: -602.100763
where:
bonds (distance) C4'-P energy: -128.315
bonds (distance) P-C4' energy: -146.542
flat angles C4'-P-C4' energy: -150.164
flat angles P-C4'-P energy: -82.075
tors. eta vs tors. theta energy: -95.005
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: 1
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1120.795670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.795670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.795670 (E_RNA)
where:
Base-Base interactions energy: -615.683
where: short stacking energy: -317.426
Base-Backbone interact. energy: -2.358
local terms energy: -502.754000
where:
bonds (distance) C4'-P energy: -137.155
bonds (distance) P-C4' energy: -140.238
flat angles C4'-P-C4' energy: -130.600
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -16.985
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: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -1068.440411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.440411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.440411 (E_RNA)
where:
Base-Base interactions energy: -589.866
where: short stacking energy: -325.603
Base-Backbone interact. energy: 3.632
local terms energy: -482.206398
where:
bonds (distance) C4'-P energy: -135.916
bonds (distance) P-C4' energy: -131.696
flat angles C4'-P-C4' energy: -108.004
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -52.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -856.228602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.228602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.228602 (E_RNA)
where:
Base-Base interactions energy: -417.907
where: short stacking energy: -220.150
Base-Backbone interact. energy: 3.670
local terms energy: -441.991123
where:
bonds (distance) C4'-P energy: -138.361
bonds (distance) P-C4' energy: -145.074
flat angles C4'-P-C4' energy: -107.489
flat angles P-C4'-P energy: -61.968
tors. eta vs tors. theta energy: 10.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -784.120006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.120006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.120006 (E_RNA)
where:
Base-Base interactions energy: -373.022
where: short stacking energy: -210.512
Base-Backbone interact. energy: -3.082
local terms energy: -408.016209
where:
bonds (distance) C4'-P energy: -128.522
bonds (distance) P-C4' energy: -120.773
flat angles C4'-P-C4' energy: -109.086
flat angles P-C4'-P energy: -53.446
tors. eta vs tors. theta energy: 3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -653.263535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.263535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.263535 (E_RNA)
where:
Base-Base interactions energy: -279.229
where: short stacking energy: -181.942
Base-Backbone interact. energy: -3.237
local terms energy: -370.797264
where:
bonds (distance) C4'-P energy: -104.512
bonds (distance) P-C4' energy: -117.364
flat angles C4'-P-C4' energy: -107.389
flat angles P-C4'-P energy: -58.575
tors. eta vs tors. theta energy: 17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -2091.833948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.833948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.833948 (E_RNA)
where:
Base-Base interactions energy: -1377.302
where: short stacking energy: -594.803
Base-Backbone interact. energy: -0.194
local terms energy: -714.337366
where:
bonds (distance) C4'-P energy: -152.286
bonds (distance) P-C4' energy: -145.143
flat angles C4'-P-C4' energy: -152.897
flat angles P-C4'-P energy: -111.816
tors. eta vs tors. theta energy: -152.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -2055.117245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.117245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.117245 (E_RNA)
where:
Base-Base interactions energy: -1309.446
where: short stacking energy: -603.992
Base-Backbone interact. energy: -4.357
local terms energy: -741.314771
where:
bonds (distance) C4'-P energy: -147.537
bonds (distance) P-C4' energy: -142.390
flat angles C4'-P-C4' energy: -165.042
flat angles P-C4'-P energy: -106.460
tors. eta vs tors. theta energy: -179.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1893.406927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.406927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.406927 (E_RNA)
where:
Base-Base interactions energy: -1242.791
where: short stacking energy: -563.341
Base-Backbone interact. energy: 1.441
local terms energy: -652.056661
where:
bonds (distance) C4'-P energy: -140.118
bonds (distance) P-C4' energy: -134.209
flat angles C4'-P-C4' energy: -146.801
flat angles P-C4'-P energy: -95.644
tors. eta vs tors. theta energy: -135.284
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: 10
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1643.970008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.970008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.970008 (E_RNA)
where:
Base-Base interactions energy: -1000.336
where: short stacking energy: -502.217
Base-Backbone interact. energy: 10.042
local terms energy: -653.675586
where:
bonds (distance) C4'-P energy: -128.926
bonds (distance) P-C4' energy: -149.867
flat angles C4'-P-C4' energy: -146.303
flat angles P-C4'-P energy: -104.489
tors. eta vs tors. theta energy: -124.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1606.991516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.991516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.991516 (E_RNA)
where:
Base-Base interactions energy: -995.304
where: short stacking energy: -471.923
Base-Backbone interact. energy: -3.073
local terms energy: -608.614618
where:
bonds (distance) C4'-P energy: -135.405
bonds (distance) P-C4' energy: -138.182
flat angles C4'-P-C4' energy: -157.226
flat angles P-C4'-P energy: -85.851
tors. eta vs tors. theta energy: -91.951
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: 1
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1107.457997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.457997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.457997 (E_RNA)
where:
Base-Base interactions energy: -596.934
where: short stacking energy: -309.984
Base-Backbone interact. energy: 0.323
local terms energy: -510.846955
where:
bonds (distance) C4'-P energy: -122.053
bonds (distance) P-C4' energy: -132.386
flat angles C4'-P-C4' energy: -118.858
flat angles P-C4'-P energy: -93.985
tors. eta vs tors. theta energy: -43.565
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: 7, replica: 2
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1091.665994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.665994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.665994 (E_RNA)
where:
Base-Base interactions energy: -568.007
where: short stacking energy: -300.535
Base-Backbone interact. energy: 2.964
local terms energy: -526.622699
where:
bonds (distance) C4'-P energy: -130.238
bonds (distance) P-C4' energy: -150.415
flat angles C4'-P-C4' energy: -132.062
flat angles P-C4'-P energy: -77.040
tors. eta vs tors. theta energy: -36.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -828.704248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.704248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.704248 (E_RNA)
where:
Base-Base interactions energy: -372.375
where: short stacking energy: -217.653
Base-Backbone interact. energy: 5.178
local terms energy: -461.507045
where:
bonds (distance) C4'-P energy: -129.187
bonds (distance) P-C4' energy: -134.621
flat angles C4'-P-C4' energy: -109.242
flat angles P-C4'-P energy: -77.025
tors. eta vs tors. theta energy: -11.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -740.830952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.830952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.830952 (E_RNA)
where:
Base-Base interactions energy: -334.436
where: short stacking energy: -216.695
Base-Backbone interact. energy: -0.463
local terms energy: -405.931056
where:
bonds (distance) C4'-P energy: -140.306
bonds (distance) P-C4' energy: -99.883
flat angles C4'-P-C4' energy: -107.370
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: 4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -616.335803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.335803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.335803 (E_RNA)
where:
Base-Base interactions energy: -235.024
where: short stacking energy: -182.867
Base-Backbone interact. energy: -3.402
local terms energy: -377.909722
where:
bonds (distance) C4'-P energy: -109.853
bonds (distance) P-C4' energy: -126.382
flat angles C4'-P-C4' energy: -101.624
flat angles P-C4'-P energy: -58.536
tors. eta vs tors. theta energy: 18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -2175.474084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.474084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.474084 (E_RNA)
where:
Base-Base interactions energy: -1422.055
where: short stacking energy: -589.511
Base-Backbone interact. energy: -1.568
local terms energy: -751.850474
where:
bonds (distance) C4'-P energy: -144.379
bonds (distance) P-C4' energy: -167.730
flat angles C4'-P-C4' energy: -159.130
flat angles P-C4'-P energy: -114.130
tors. eta vs tors. theta energy: -166.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -2068.743772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.743772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.743772 (E_RNA)
where:
Base-Base interactions energy: -1326.890
where: short stacking energy: -621.037
Base-Backbone interact. energy: -0.822
local terms energy: -741.031234
where:
bonds (distance) C4'-P energy: -135.410
bonds (distance) P-C4' energy: -152.135
flat angles C4'-P-C4' energy: -152.325
flat angles P-C4'-P energy: -113.218
tors. eta vs tors. theta energy: -187.943
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1956.364910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.364910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.364910 (E_RNA)
where:
Base-Base interactions energy: -1251.723
where: short stacking energy: -569.249
Base-Backbone interact. energy: -2.801
local terms energy: -701.840519
where:
bonds (distance) C4'-P energy: -145.358
bonds (distance) P-C4' energy: -151.372
flat angles C4'-P-C4' energy: -150.355
flat angles P-C4'-P energy: -93.313
tors. eta vs tors. theta energy: -161.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1628.007293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.007293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.007293 (E_RNA)
where:
Base-Base interactions energy: -1038.947
where: short stacking energy: -470.882
Base-Backbone interact. energy: -2.461
local terms energy: -586.599826
where:
bonds (distance) C4'-P energy: -136.429
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -134.324
flat angles P-C4'-P energy: -105.586
tors. eta vs tors. theta energy: -99.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1666.980906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.980906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.980906 (E_RNA)
where:
Base-Base interactions energy: -1053.877
where: short stacking energy: -493.529
Base-Backbone interact. energy: -1.576
local terms energy: -611.528322
where:
bonds (distance) C4'-P energy: -129.496
bonds (distance) P-C4' energy: -140.104
flat angles C4'-P-C4' energy: -139.153
flat angles P-C4'-P energy: -81.782
tors. eta vs tors. theta energy: -120.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1208.268344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.268344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.268344 (E_RNA)
where:
Base-Base interactions energy: -666.618
where: short stacking energy: -346.506
Base-Backbone interact. energy: -5.283
local terms energy: -536.367122
where:
bonds (distance) C4'-P energy: -130.597
bonds (distance) P-C4' energy: -143.824
flat angles C4'-P-C4' energy: -120.080
flat angles P-C4'-P energy: -78.502
tors. eta vs tors. theta energy: -63.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1023.214890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.214890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.214890 (E_RNA)
where:
Base-Base interactions energy: -541.168
where: short stacking energy: -293.817
Base-Backbone interact. energy: 3.267
local terms energy: -485.313563
where:
bonds (distance) C4'-P energy: -123.605
bonds (distance) P-C4' energy: -133.379
flat angles C4'-P-C4' energy: -121.474
flat angles P-C4'-P energy: -66.499
tors. eta vs tors. theta energy: -40.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -862.038561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.038561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.038561 (E_RNA)
where:
Base-Base interactions energy: -402.455
where: short stacking energy: -223.143
Base-Backbone interact. energy: -2.533
local terms energy: -457.050803
where:
bonds (distance) C4'-P energy: -141.040
bonds (distance) P-C4' energy: -132.101
flat angles C4'-P-C4' energy: -126.322
flat angles P-C4'-P energy: -69.645
tors. eta vs tors. theta energy: 12.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -765.171518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.171518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.171518 (E_RNA)
where:
Base-Base interactions energy: -315.083
where: short stacking energy: -220.167
Base-Backbone interact. energy: 2.021
local terms energy: -452.109712
where:
bonds (distance) C4'-P energy: -125.846
bonds (distance) P-C4' energy: -136.609
flat angles C4'-P-C4' energy: -108.659
flat angles P-C4'-P energy: -71.429
tors. eta vs tors. theta energy: -9.567
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: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -620.665093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.665093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.665093 (E_RNA)
where:
Base-Base interactions energy: -243.459
where: short stacking energy: -168.837
Base-Backbone interact. energy: 1.641
local terms energy: -378.846933
where:
bonds (distance) C4'-P energy: -94.232
bonds (distance) P-C4' energy: -129.078
flat angles C4'-P-C4' energy: -121.315
flat angles P-C4'-P energy: -59.196
tors. eta vs tors. theta energy: 24.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -2184.857030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.857030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.857030 (E_RNA)
where:
Base-Base interactions energy: -1466.675
where: short stacking energy: -623.352
Base-Backbone interact. energy: -1.703
local terms energy: -716.478428
where:
bonds (distance) C4'-P energy: -147.494
bonds (distance) P-C4' energy: -143.870
flat angles C4'-P-C4' energy: -157.735
flat angles P-C4'-P energy: -98.516
tors. eta vs tors. theta energy: -168.863
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: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -2073.843506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.843506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.843506 (E_RNA)
where:
Base-Base interactions energy: -1301.804
where: short stacking energy: -625.401
Base-Backbone interact. energy: 0.403
local terms energy: -772.442448
where:
bonds (distance) C4'-P energy: -150.016
bonds (distance) P-C4' energy: -158.506
flat angles C4'-P-C4' energy: -164.121
flat angles P-C4'-P energy: -122.752
tors. eta vs tors. theta energy: -177.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1897.717899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.717899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.717899 (E_RNA)
where:
Base-Base interactions energy: -1247.068
where: short stacking energy: -573.041
Base-Backbone interact. energy: 2.048
local terms energy: -652.697213
where:
bonds (distance) C4'-P energy: -144.243
bonds (distance) P-C4' energy: -133.446
flat angles C4'-P-C4' energy: -151.976
flat angles P-C4'-P energy: -88.366
tors. eta vs tors. theta energy: -134.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1708.566841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.566841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.566841 (E_RNA)
where:
Base-Base interactions energy: -1083.702
where: short stacking energy: -508.998
Base-Backbone interact. energy: -0.700
local terms energy: -624.164353
where:
bonds (distance) C4'-P energy: -123.616
bonds (distance) P-C4' energy: -145.043
flat angles C4'-P-C4' energy: -153.038
flat angles P-C4'-P energy: -93.759
tors. eta vs tors. theta energy: -108.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1659.391254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.391254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.391254 (E_RNA)
where:
Base-Base interactions energy: -1057.127
where: short stacking energy: -486.984
Base-Backbone interact. energy: 1.646
local terms energy: -603.910716
where:
bonds (distance) C4'-P energy: -146.790
bonds (distance) P-C4' energy: -115.976
flat angles C4'-P-C4' energy: -133.986
flat angles P-C4'-P energy: -82.248
tors. eta vs tors. theta energy: -124.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1204.640202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.640202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.640202 (E_RNA)
where:
Base-Base interactions energy: -640.632
where: short stacking energy: -353.959
Base-Backbone interact. energy: -0.849
local terms energy: -563.159191
where:
bonds (distance) C4'-P energy: -148.290
bonds (distance) P-C4' energy: -131.985
flat angles C4'-P-C4' energy: -128.397
flat angles P-C4'-P energy: -80.033
tors. eta vs tors. theta energy: -74.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -960.796553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.796553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.796553 (E_RNA)
where:
Base-Base interactions energy: -475.747
where: short stacking energy: -267.469
Base-Backbone interact. energy: -0.288
local terms energy: -484.761413
where:
bonds (distance) C4'-P energy: -130.720
bonds (distance) P-C4' energy: -136.949
flat angles C4'-P-C4' energy: -129.554
flat angles P-C4'-P energy: -63.530
tors. eta vs tors. theta energy: -24.008
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: 1
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -843.794827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.794827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.794827 (E_RNA)
where:
Base-Base interactions energy: -409.482
where: short stacking energy: -253.094
Base-Backbone interact. energy: -1.273
local terms energy: -433.040374
where:
bonds (distance) C4'-P energy: -111.928
bonds (distance) P-C4' energy: -122.355
flat angles C4'-P-C4' energy: -119.325
flat angles P-C4'-P energy: -69.883
tors. eta vs tors. theta energy: -9.549
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: 7
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -726.874330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.874330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.874330 (E_RNA)
where:
Base-Base interactions energy: -299.303
where: short stacking energy: -177.867
Base-Backbone interact. energy: -2.692
local terms energy: -424.879346
where:
bonds (distance) C4'-P energy: -129.939
bonds (distance) P-C4' energy: -131.600
flat angles C4'-P-C4' energy: -112.702
flat angles P-C4'-P energy: -66.004
tors. eta vs tors. theta energy: 15.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -641.135791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.135791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.135791 (E_RNA)
where:
Base-Base interactions energy: -256.792
where: short stacking energy: -139.773
Base-Backbone interact. energy: 1.956
local terms energy: -386.299141
where:
bonds (distance) C4'-P energy: -97.469
bonds (distance) P-C4' energy: -157.636
flat angles C4'-P-C4' energy: -115.984
flat angles P-C4'-P energy: -41.742
tors. eta vs tors. theta energy: 26.532
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: 33
Temperature: 0.900000
Total energy: -2238.716643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.716643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.716643 (E_RNA)
where:
Base-Base interactions energy: -1487.628
where: short stacking energy: -614.030
Base-Backbone interact. energy: -2.377
local terms energy: -748.711669
where:
bonds (distance) C4'-P energy: -154.813
bonds (distance) P-C4' energy: -142.889
flat angles C4'-P-C4' energy: -167.923
flat angles P-C4'-P energy: -99.692
tors. eta vs tors. theta energy: -183.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -2109.703124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.703124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.703124 (E_RNA)
where:
Base-Base interactions energy: -1362.556
where: short stacking energy: -658.118
Base-Backbone interact. energy: 4.194
local terms energy: -751.341157
where:
bonds (distance) C4'-P energy: -143.627
bonds (distance) P-C4' energy: -150.964
flat angles C4'-P-C4' energy: -167.281
flat angles P-C4'-P energy: -104.108
tors. eta vs tors. theta energy: -185.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1888.751566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.751566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.751566 (E_RNA)
where:
Base-Base interactions energy: -1222.268
where: short stacking energy: -575.105
Base-Backbone interact. energy: -1.500
local terms energy: -664.983613
where:
bonds (distance) C4'-P energy: -128.336
bonds (distance) P-C4' energy: -134.537
flat angles C4'-P-C4' energy: -156.051
flat angles P-C4'-P energy: -99.202
tors. eta vs tors. theta energy: -146.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1712.158083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.158083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.158083 (E_RNA)
where:
Base-Base interactions energy: -1090.734
where: short stacking energy: -508.447
Base-Backbone interact. energy: -1.978
local terms energy: -619.445907
where:
bonds (distance) C4'-P energy: -129.158
bonds (distance) P-C4' energy: -144.402
flat angles C4'-P-C4' energy: -137.351
flat angles P-C4'-P energy: -100.036
tors. eta vs tors. theta energy: -108.498
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: 5, replica: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1542.797045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.797045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.797045 (E_RNA)
where:
Base-Base interactions energy: -955.739
where: short stacking energy: -448.647
Base-Backbone interact. energy: -1.092
local terms energy: -585.965831
where:
bonds (distance) C4'-P energy: -133.019
bonds (distance) P-C4' energy: -141.102
flat angles C4'-P-C4' energy: -149.174
flat angles P-C4'-P energy: -76.053
tors. eta vs tors. theta energy: -86.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1239.425494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.425494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.425494 (E_RNA)
where:
Base-Base interactions energy: -703.425
where: short stacking energy: -329.645
Base-Backbone interact. energy: 5.849
local terms energy: -541.849955
where:
bonds (distance) C4'-P energy: -128.594
bonds (distance) P-C4' energy: -138.403
flat angles C4'-P-C4' energy: -138.798
flat angles P-C4'-P energy: -77.834
tors. eta vs tors. theta energy: -58.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -928.993308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.993308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.993308 (E_RNA)
where:
Base-Base interactions energy: -485.343
where: short stacking energy: -274.459
Base-Backbone interact. energy: 2.235
local terms energy: -445.886189
where:
bonds (distance) C4'-P energy: -136.869
bonds (distance) P-C4' energy: -121.720
flat angles C4'-P-C4' energy: -91.812
flat angles P-C4'-P energy: -84.352
tors. eta vs tors. theta energy: -11.133
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: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -725.020376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.020376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.020376 (E_RNA)
where:
Base-Base interactions energy: -290.803
where: short stacking energy: -189.984
Base-Backbone interact. energy: -1.209
local terms energy: -433.008942
where:
bonds (distance) C4'-P energy: -113.554
bonds (distance) P-C4' energy: -157.182
flat angles C4'-P-C4' energy: -111.153
flat angles P-C4'-P energy: -63.636
tors. eta vs tors. theta energy: 12.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -778.381760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.381760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.381760 (E_RNA)
where:
Base-Base interactions energy: -382.810
where: short stacking energy: -222.399
Base-Backbone interact. energy: 7.989
local terms energy: -403.560681
where:
bonds (distance) C4'-P energy: -131.142
bonds (distance) P-C4' energy: -119.304
flat angles C4'-P-C4' energy: -104.844
flat angles P-C4'-P energy: -61.857
tors. eta vs tors. theta energy: 13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -670.434495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.434495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.434495 (E_RNA)
where:
Base-Base interactions energy: -269.224
where: short stacking energy: -147.694
Base-Backbone interact. energy: 6.031
local terms energy: -407.241588
where:
bonds (distance) C4'-P energy: -128.180
bonds (distance) P-C4' energy: -145.623
flat angles C4'-P-C4' energy: -104.851
flat angles P-C4'-P energy: -58.600
tors. eta vs tors. theta energy: 30.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -2244.669349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.669349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.669349 (E_RNA)
where:
Base-Base interactions energy: -1498.538
where: short stacking energy: -600.986
Base-Backbone interact. energy: -2.314
local terms energy: -743.816768
where:
bonds (distance) C4'-P energy: -155.004
bonds (distance) P-C4' energy: -162.230
flat angles C4'-P-C4' energy: -156.205
flat angles P-C4'-P energy: -112.429
tors. eta vs tors. theta energy: -157.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -2163.544524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.544524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.544524 (E_RNA)
where:
Base-Base interactions energy: -1405.338
where: short stacking energy: -641.694
Base-Backbone interact. energy: -6.535
local terms energy: -751.671299
where:
bonds (distance) C4'-P energy: -148.786
bonds (distance) P-C4' energy: -145.060
flat angles C4'-P-C4' energy: -162.547
flat angles P-C4'-P energy: -100.052
tors. eta vs tors. theta energy: -195.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1893.973616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.973616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.973616 (E_RNA)
where:
Base-Base interactions energy: -1210.229
where: short stacking energy: -564.037
Base-Backbone interact. energy: -0.070
local terms energy: -683.674575
where:
bonds (distance) C4'-P energy: -150.178
bonds (distance) P-C4' energy: -161.081
flat angles C4'-P-C4' energy: -155.494
flat angles P-C4'-P energy: -76.564
tors. eta vs tors. theta energy: -140.358
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: 9
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1775.240630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.240630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.240630 (E_RNA)
where:
Base-Base interactions energy: -1123.209
where: short stacking energy: -490.113
Base-Backbone interact. energy: -1.810
local terms energy: -650.221327
where:
bonds (distance) C4'-P energy: -141.439
bonds (distance) P-C4' energy: -138.048
flat angles C4'-P-C4' energy: -149.919
flat angles P-C4'-P energy: -94.374
tors. eta vs tors. theta energy: -126.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1615.690307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.690307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.690307 (E_RNA)
where:
Base-Base interactions energy: -979.725
where: short stacking energy: -471.642
Base-Backbone interact. energy: -1.570
local terms energy: -634.395312
where:
bonds (distance) C4'-P energy: -141.638
bonds (distance) P-C4' energy: -138.253
flat angles C4'-P-C4' energy: -147.625
flat angles P-C4'-P energy: -106.046
tors. eta vs tors. theta energy: -100.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1316.306616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.306616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.306616 (E_RNA)
where:
Base-Base interactions energy: -771.795
where: short stacking energy: -396.418
Base-Backbone interact. energy: -1.645
local terms energy: -542.866119
where:
bonds (distance) C4'-P energy: -122.501
bonds (distance) P-C4' energy: -136.900
flat angles C4'-P-C4' energy: -132.851
flat angles P-C4'-P energy: -67.218
tors. eta vs tors. theta energy: -83.396
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: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -991.883222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.883222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.883222 (E_RNA)
where:
Base-Base interactions energy: -523.576
where: short stacking energy: -307.543
Base-Backbone interact. energy: 6.094
local terms energy: -474.401100
where:
bonds (distance) C4'-P energy: -113.560
bonds (distance) P-C4' energy: -118.816
flat angles C4'-P-C4' energy: -130.342
flat angles P-C4'-P energy: -79.933
tors. eta vs tors. theta energy: -31.751
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: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -753.576122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.576122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.576122 (E_RNA)
where:
Base-Base interactions energy: -350.209
where: short stacking energy: -221.173
Base-Backbone interact. energy: 3.509
local terms energy: -406.876440
where:
bonds (distance) C4'-P energy: -140.220
bonds (distance) P-C4' energy: -106.364
flat angles C4'-P-C4' energy: -101.720
flat angles P-C4'-P energy: -61.335
tors. eta vs tors. theta energy: 2.762
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: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -727.970563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.970563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.970563 (E_RNA)
where:
Base-Base interactions energy: -307.363
where: short stacking energy: -196.580
Base-Backbone interact. energy: -0.494
local terms energy: -420.113754
where:
bonds (distance) C4'-P energy: -123.051
bonds (distance) P-C4' energy: -141.929
flat angles C4'-P-C4' energy: -112.466
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: 15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -674.274457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.274457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.274457 (E_RNA)
where:
Base-Base interactions energy: -285.206
where: short stacking energy: -166.085
Base-Backbone interact. energy: 0.518
local terms energy: -389.586302
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -122.987
flat angles C4'-P-C4' energy: -115.314
flat angles P-C4'-P energy: -57.106
tors. eta vs tors. theta energy: 14.858
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: 35
Temperature: 0.900000
Total energy: -2276.960675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.960675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.960675 (E_RNA)
where:
Base-Base interactions energy: -1535.547
where: short stacking energy: -640.885
Base-Backbone interact. energy: -4.915
local terms energy: -736.498198
where:
bonds (distance) C4'-P energy: -146.830
bonds (distance) P-C4' energy: -145.940
flat angles C4'-P-C4' energy: -173.899
flat angles P-C4'-P energy: -98.472
tors. eta vs tors. theta energy: -171.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -2189.169075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.169075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.169075 (E_RNA)
where:
Base-Base interactions energy: -1415.147
where: short stacking energy: -676.596
Base-Backbone interact. energy: -0.388
local terms energy: -773.633836
where:
bonds (distance) C4'-P energy: -139.327
bonds (distance) P-C4' energy: -150.229
flat angles C4'-P-C4' energy: -166.377
flat angles P-C4'-P energy: -118.658
tors. eta vs tors. theta energy: -199.044
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1915.028690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.028690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.028690 (E_RNA)
where:
Base-Base interactions energy: -1228.010
where: short stacking energy: -558.872
Base-Backbone interact. energy: -0.007
local terms energy: -687.012154
where:
bonds (distance) C4'-P energy: -143.987
bonds (distance) P-C4' energy: -142.072
flat angles C4'-P-C4' energy: -158.431
flat angles P-C4'-P energy: -94.123
tors. eta vs tors. theta energy: -148.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1787.008838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.008838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.008838 (E_RNA)
where:
Base-Base interactions energy: -1109.631
where: short stacking energy: -533.819
Base-Backbone interact. energy: -2.558
local terms energy: -674.819085
where:
bonds (distance) C4'-P energy: -151.008
bonds (distance) P-C4' energy: -147.232
flat angles C4'-P-C4' energy: -140.147
flat angles P-C4'-P energy: -97.432
tors. eta vs tors. theta energy: -139.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1602.371723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.371723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.371723 (E_RNA)
where:
Base-Base interactions energy: -1009.947
where: short stacking energy: -472.709
Base-Backbone interact. energy: -2.548
local terms energy: -589.876120
where:
bonds (distance) C4'-P energy: -136.021
bonds (distance) P-C4' energy: -133.644
flat angles C4'-P-C4' energy: -129.197
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -99.032
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: 2
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1316.832903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.832903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.832903 (E_RNA)
where:
Base-Base interactions energy: -782.092
where: short stacking energy: -408.302
Base-Backbone interact. energy: -1.845
local terms energy: -532.896102
where:
bonds (distance) C4'-P energy: -120.105
bonds (distance) P-C4' energy: -140.324
flat angles C4'-P-C4' energy: -122.195
flat angles P-C4'-P energy: -75.825
tors. eta vs tors. theta energy: -74.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -1070.313091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.313091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.313091 (E_RNA)
where:
Base-Base interactions energy: -583.237
where: short stacking energy: -288.787
Base-Backbone interact. energy: -1.471
local terms energy: -485.605678
where:
bonds (distance) C4'-P energy: -129.379
bonds (distance) P-C4' energy: -137.518
flat angles C4'-P-C4' energy: -127.849
flat angles P-C4'-P energy: -49.639
tors. eta vs tors. theta energy: -41.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -792.516753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.516753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.516753 (E_RNA)
where:
Base-Base interactions energy: -332.995
where: short stacking energy: -210.741
Base-Backbone interact. energy: -2.729
local terms energy: -456.792206
where:
bonds (distance) C4'-P energy: -107.001
bonds (distance) P-C4' energy: -128.425
flat angles C4'-P-C4' energy: -115.494
flat angles P-C4'-P energy: -81.288
tors. eta vs tors. theta energy: -24.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -790.251781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.251781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.251781 (E_RNA)
where:
Base-Base interactions energy: -357.018
where: short stacking energy: -205.752
Base-Backbone interact. energy: 2.076
local terms energy: -435.309373
where:
bonds (distance) C4'-P energy: -111.623
bonds (distance) P-C4' energy: -119.097
flat angles C4'-P-C4' energy: -120.948
flat angles P-C4'-P energy: -76.876
tors. eta vs tors. theta energy: -6.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -649.300926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.300926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.300926 (E_RNA)
where:
Base-Base interactions energy: -284.596
where: short stacking energy: -192.764
Base-Backbone interact. energy: 0.819
local terms energy: -365.524491
where:
bonds (distance) C4'-P energy: -100.535
bonds (distance) P-C4' energy: -119.526
flat angles C4'-P-C4' energy: -88.444
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -5.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -2243.774031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.774031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.774031 (E_RNA)
where:
Base-Base interactions energy: -1493.911
where: short stacking energy: -620.386
Base-Backbone interact. energy: -4.557
local terms energy: -745.306365
where:
bonds (distance) C4'-P energy: -153.752
bonds (distance) P-C4' energy: -153.562
flat angles C4'-P-C4' energy: -158.679
flat angles P-C4'-P energy: -105.190
tors. eta vs tors. theta energy: -174.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -2171.754475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.754475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.754475 (E_RNA)
where:
Base-Base interactions energy: -1429.653
where: short stacking energy: -651.667
Base-Backbone interact. energy: -1.993
local terms energy: -740.108813
where:
bonds (distance) C4'-P energy: -133.891
bonds (distance) P-C4' energy: -153.945
flat angles C4'-P-C4' energy: -144.792
flat angles P-C4'-P energy: -109.333
tors. eta vs tors. theta energy: -198.148
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: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1961.712110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.712110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.712110 (E_RNA)
where:
Base-Base interactions energy: -1283.987
where: short stacking energy: -585.808
Base-Backbone interact. energy: -1.190
local terms energy: -676.534389
where:
bonds (distance) C4'-P energy: -150.184
bonds (distance) P-C4' energy: -138.537
flat angles C4'-P-C4' energy: -155.433
flat angles P-C4'-P energy: -82.470
tors. eta vs tors. theta energy: -149.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1784.697330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.697330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.697330 (E_RNA)
where:
Base-Base interactions energy: -1136.334
where: short stacking energy: -533.857
Base-Backbone interact. energy: -0.923
local terms energy: -647.440245
where:
bonds (distance) C4'-P energy: -147.325
bonds (distance) P-C4' energy: -142.681
flat angles C4'-P-C4' energy: -127.829
flat angles P-C4'-P energy: -98.276
tors. eta vs tors. theta energy: -131.329
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: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1618.489189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.489189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.489189 (E_RNA)
where:
Base-Base interactions energy: -1016.487
where: short stacking energy: -442.964
Base-Backbone interact. energy: -2.999
local terms energy: -599.003230
where:
bonds (distance) C4'-P energy: -134.278
bonds (distance) P-C4' energy: -147.049
flat angles C4'-P-C4' energy: -147.973
flat angles P-C4'-P energy: -89.823
tors. eta vs tors. theta energy: -79.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1396.774763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.774763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.774763 (E_RNA)
where:
Base-Base interactions energy: -812.916
where: short stacking energy: -407.929
Base-Backbone interact. energy: -0.865
local terms energy: -582.994139
where:
bonds (distance) C4'-P energy: -136.971
bonds (distance) P-C4' energy: -138.436
flat angles C4'-P-C4' energy: -132.975
flat angles P-C4'-P energy: -81.357
tors. eta vs tors. theta energy: -93.255
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: 8
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1067.742974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.742974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.742974 (E_RNA)
where:
Base-Base interactions energy: -583.167
where: short stacking energy: -330.224
Base-Backbone interact. energy: 0.677
local terms energy: -485.253104
where:
bonds (distance) C4'-P energy: -109.994
bonds (distance) P-C4' energy: -125.322
flat angles C4'-P-C4' energy: -135.548
flat angles P-C4'-P energy: -61.213
tors. eta vs tors. theta energy: -53.175
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: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -795.159313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.159313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.159313 (E_RNA)
where:
Base-Base interactions energy: -380.587
where: short stacking energy: -244.644
Base-Backbone interact. energy: 9.251
local terms energy: -423.823465
where:
bonds (distance) C4'-P energy: -121.260
bonds (distance) P-C4' energy: -121.202
flat angles C4'-P-C4' energy: -119.482
flat angles P-C4'-P energy: -49.381
tors. eta vs tors. theta energy: -12.499
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: 36
Temperature: 1.300000
Total energy: -780.109087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.109087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.109087 (E_RNA)
where:
Base-Base interactions energy: -335.276
where: short stacking energy: -216.788
Base-Backbone interact. energy: -2.865
local terms energy: -441.967952
where:
bonds (distance) C4'-P energy: -138.022
bonds (distance) P-C4' energy: -136.037
flat angles C4'-P-C4' energy: -112.076
flat angles P-C4'-P energy: -54.646
tors. eta vs tors. theta energy: -1.187
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: 1
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -621.691699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.691699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.691699 (E_RNA)
where:
Base-Base interactions energy: -260.168
where: short stacking energy: -182.081
Base-Backbone interact. energy: 1.793
local terms energy: -363.316142
where:
bonds (distance) C4'-P energy: -118.995
bonds (distance) P-C4' energy: -129.523
flat angles C4'-P-C4' energy: -88.390
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: 23.875
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: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -2266.658678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.658678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.658678 (E_RNA)
where:
Base-Base interactions energy: -1503.445
where: short stacking energy: -623.238
Base-Backbone interact. energy: -1.315
local terms energy: -761.899045
where:
bonds (distance) C4'-P energy: -145.732
bonds (distance) P-C4' energy: -158.872
flat angles C4'-P-C4' energy: -174.004
flat angles P-C4'-P energy: -105.042
tors. eta vs tors. theta energy: -178.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -2196.496494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.496494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.496494 (E_RNA)
where:
Base-Base interactions energy: -1419.939
where: short stacking energy: -650.294
Base-Backbone interact. energy: -2.421
local terms energy: -774.135937
where:
bonds (distance) C4'-P energy: -151.637
bonds (distance) P-C4' energy: -153.930
flat angles C4'-P-C4' energy: -148.728
flat angles P-C4'-P energy: -118.682
tors. eta vs tors. theta energy: -201.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1960.837104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.837104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.837104 (E_RNA)
where:
Base-Base interactions energy: -1268.651
where: short stacking energy: -576.146
Base-Backbone interact. energy: -1.264
local terms energy: -690.922138
where:
bonds (distance) C4'-P energy: -128.704
bonds (distance) P-C4' energy: -158.674
flat angles C4'-P-C4' energy: -148.500
flat angles P-C4'-P energy: -99.636
tors. eta vs tors. theta energy: -155.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1856.547053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.547053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.547053 (E_RNA)
where:
Base-Base interactions energy: -1199.621
where: short stacking energy: -545.061
Base-Backbone interact. energy: -3.619
local terms energy: -653.307186
where:
bonds (distance) C4'-P energy: -124.172
bonds (distance) P-C4' energy: -153.554
flat angles C4'-P-C4' energy: -151.507
flat angles P-C4'-P energy: -90.137
tors. eta vs tors. theta energy: -133.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1612.138318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.138318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.138318 (E_RNA)
where:
Base-Base interactions energy: -1022.717
where: short stacking energy: -460.154
Base-Backbone interact. energy: -0.356
local terms energy: -589.064558
where:
bonds (distance) C4'-P energy: -142.420
bonds (distance) P-C4' energy: -131.693
flat angles C4'-P-C4' energy: -134.739
flat angles P-C4'-P energy: -66.190
tors. eta vs tors. theta energy: -114.023
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1361.771876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.771876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.771876 (E_RNA)
where:
Base-Base interactions energy: -818.665
where: short stacking energy: -391.604
Base-Backbone interact. energy: 2.632
local terms energy: -545.738716
where:
bonds (distance) C4'-P energy: -105.713
bonds (distance) P-C4' energy: -139.607
flat angles C4'-P-C4' energy: -142.702
flat angles P-C4'-P energy: -64.477
tors. eta vs tors. theta energy: -93.239
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: 8
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1085.185400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.185400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.185400 (E_RNA)
where:
Base-Base interactions energy: -618.810
where: short stacking energy: -304.335
Base-Backbone interact. energy: -0.337
local terms energy: -466.038342
where:
bonds (distance) C4'-P energy: -119.348
bonds (distance) P-C4' energy: -125.268
flat angles C4'-P-C4' energy: -104.329
flat angles P-C4'-P energy: -83.345
tors. eta vs tors. theta energy: -33.749
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: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -781.850864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.850864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.850864 (E_RNA)
where:
Base-Base interactions energy: -378.736
where: short stacking energy: -215.534
Base-Backbone interact. energy: 2.152
local terms energy: -405.266818
where:
bonds (distance) C4'-P energy: -120.529
bonds (distance) P-C4' energy: -125.105
flat angles C4'-P-C4' energy: -116.123
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: 16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -744.409127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.409127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.409127 (E_RNA)
where:
Base-Base interactions energy: -329.119
where: short stacking energy: -191.233
Base-Backbone interact. energy: 3.202
local terms energy: -418.491750
where:
bonds (distance) C4'-P energy: -124.676
bonds (distance) P-C4' energy: -126.692
flat angles C4'-P-C4' energy: -110.968
flat angles P-C4'-P energy: -49.572
tors. eta vs tors. theta energy: -6.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -598.652200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.652200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.652200 (E_RNA)
where:
Base-Base interactions energy: -243.294
where: short stacking energy: -143.062
Base-Backbone interact. energy: -1.813
local terms energy: -353.545677
where:
bonds (distance) C4'-P energy: -122.932
bonds (distance) P-C4' energy: -99.222
flat angles C4'-P-C4' energy: -102.554
flat angles P-C4'-P energy: -62.373
tors. eta vs tors. theta energy: 33.535
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: 38
Temperature: 0.900000
Total energy: -2276.419932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.419932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.419932 (E_RNA)
where:
Base-Base interactions energy: -1521.033
where: short stacking energy: -618.298
Base-Backbone interact. energy: -3.246
local terms energy: -752.141114
where:
bonds (distance) C4'-P energy: -168.130
bonds (distance) P-C4' energy: -152.892
flat angles C4'-P-C4' energy: -161.030
flat angles P-C4'-P energy: -99.546
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: 2, replica: 4
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -2175.842687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.842687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.842687 (E_RNA)
where:
Base-Base interactions energy: -1406.694
where: short stacking energy: -686.219
Base-Backbone interact. energy: -2.912
local terms energy: -766.236503
where:
bonds (distance) C4'-P energy: -155.852
bonds (distance) P-C4' energy: -144.550
flat angles C4'-P-C4' energy: -165.550
flat angles P-C4'-P energy: -114.248
tors. eta vs tors. theta energy: -186.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -2033.320364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.320364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.320364 (E_RNA)
where:
Base-Base interactions energy: -1344.363
where: short stacking energy: -590.741
Base-Backbone interact. energy: -8.320
local terms energy: -680.637441
where:
bonds (distance) C4'-P energy: -129.673
bonds (distance) P-C4' energy: -158.916
flat angles C4'-P-C4' energy: -149.011
flat angles P-C4'-P energy: -97.604
tors. eta vs tors. theta energy: -145.435
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: 9
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1843.455370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.455370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.455370 (E_RNA)
where:
Base-Base interactions energy: -1158.224
where: short stacking energy: -527.706
Base-Backbone interact. energy: -1.007
local terms energy: -684.224888
where:
bonds (distance) C4'-P energy: -133.471
bonds (distance) P-C4' energy: -149.665
flat angles C4'-P-C4' energy: -144.600
flat angles P-C4'-P energy: -101.826
tors. eta vs tors. theta energy: -154.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1561.520862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.520862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.520862 (E_RNA)
where:
Base-Base interactions energy: -970.367
where: short stacking energy: -453.069
Base-Backbone interact. energy: -0.098
local terms energy: -591.055744
where:
bonds (distance) C4'-P energy: -123.469
bonds (distance) P-C4' energy: -143.752
flat angles C4'-P-C4' energy: -125.619
flat angles P-C4'-P energy: -86.084
tors. eta vs tors. theta energy: -112.131
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: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1343.795403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.795403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.795403 (E_RNA)
where:
Base-Base interactions energy: -814.877
where: short stacking energy: -400.850
Base-Backbone interact. energy: 1.397
local terms energy: -530.315830
where:
bonds (distance) C4'-P energy: -114.590
bonds (distance) P-C4' energy: -133.206
flat angles C4'-P-C4' energy: -120.648
flat angles P-C4'-P energy: -70.271
tors. eta vs tors. theta energy: -91.601
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: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1089.792896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.792896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.792896 (E_RNA)
where:
Base-Base interactions energy: -600.805
where: short stacking energy: -303.193
Base-Backbone interact. energy: -1.190
local terms energy: -487.797073
where:
bonds (distance) C4'-P energy: -138.402
bonds (distance) P-C4' energy: -120.306
flat angles C4'-P-C4' energy: -119.593
flat angles P-C4'-P energy: -82.849
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -876.109198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.109198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.109198 (E_RNA)
where:
Base-Base interactions energy: -424.316
where: short stacking energy: -241.339
Base-Backbone interact. energy: -1.162
local terms energy: -450.631526
where:
bonds (distance) C4'-P energy: -135.405
bonds (distance) P-C4' energy: -115.100
flat angles C4'-P-C4' energy: -128.933
flat angles P-C4'-P energy: -51.013
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -705.630332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.630332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.630332 (E_RNA)
where:
Base-Base interactions energy: -305.709
where: short stacking energy: -203.574
Base-Backbone interact. energy: 3.227
local terms energy: -403.147575
where:
bonds (distance) C4'-P energy: -119.629
bonds (distance) P-C4' energy: -131.214
flat angles C4'-P-C4' energy: -108.174
flat angles P-C4'-P energy: -57.038
tors. eta vs tors. theta energy: 12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -564.495976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.495976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.495976 (E_RNA)
where:
Base-Base interactions energy: -206.745
where: short stacking energy: -151.131
Base-Backbone interact. energy: 0.091
local terms energy: -357.841550
where:
bonds (distance) C4'-P energy: -96.424
bonds (distance) P-C4' energy: -129.511
flat angles C4'-P-C4' energy: -111.962
flat angles P-C4'-P energy: -45.139
tors. eta vs tors. theta energy: 25.194
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: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -2272.926981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.926981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.926981 (E_RNA)
where:
Base-Base interactions energy: -1536.215
where: short stacking energy: -630.065
Base-Backbone interact. energy: -2.654
local terms energy: -734.057656
where:
bonds (distance) C4'-P energy: -152.783
bonds (distance) P-C4' energy: -155.606
flat angles C4'-P-C4' energy: -158.271
flat angles P-C4'-P energy: -99.489
tors. eta vs tors. theta energy: -167.909
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: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -2186.514198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.514198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.514198 (E_RNA)
where:
Base-Base interactions energy: -1416.190
where: short stacking energy: -674.627
Base-Backbone interact. energy: 0.233
local terms energy: -770.557884
where:
bonds (distance) C4'-P energy: -141.190
bonds (distance) P-C4' energy: -156.580
flat angles C4'-P-C4' energy: -170.774
flat angles P-C4'-P energy: -107.580
tors. eta vs tors. theta energy: -194.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1992.909457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.909457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.909457 (E_RNA)
where:
Base-Base interactions energy: -1324.231
where: short stacking energy: -567.510
Base-Backbone interact. energy: -5.357
local terms energy: -663.320920
where:
bonds (distance) C4'-P energy: -132.225
bonds (distance) P-C4' energy: -145.379
flat angles C4'-P-C4' energy: -151.025
flat angles P-C4'-P energy: -88.480
tors. eta vs tors. theta energy: -146.212
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: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1739.953936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.953936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.953936 (E_RNA)
where:
Base-Base interactions energy: -1093.637
where: short stacking energy: -506.289
Base-Backbone interact. energy: -2.182
local terms energy: -644.135163
where:
bonds (distance) C4'-P energy: -143.033
bonds (distance) P-C4' energy: -138.806
flat angles C4'-P-C4' energy: -136.469
flat angles P-C4'-P energy: -99.698
tors. eta vs tors. theta energy: -126.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1580.118678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.118678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.118678 (E_RNA)
where:
Base-Base interactions energy: -1014.414
where: short stacking energy: -472.429
Base-Backbone interact. energy: -2.428
local terms energy: -563.277308
where:
bonds (distance) C4'-P energy: -134.729
bonds (distance) P-C4' energy: -131.511
flat angles C4'-P-C4' energy: -132.219
flat angles P-C4'-P energy: -64.237
tors. eta vs tors. theta energy: -100.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1337.807209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.807209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.807209 (E_RNA)
where:
Base-Base interactions energy: -780.444
where: short stacking energy: -377.051
Base-Backbone interact. energy: 2.345
local terms energy: -559.707864
where:
bonds (distance) C4'-P energy: -129.665
bonds (distance) P-C4' energy: -137.760
flat angles C4'-P-C4' energy: -144.236
flat angles P-C4'-P energy: -66.695
tors. eta vs tors. theta energy: -81.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1111.160411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.160411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.160411 (E_RNA)
where:
Base-Base interactions energy: -581.859
where: short stacking energy: -286.457
Base-Backbone interact. energy: -1.333
local terms energy: -527.968268
where:
bonds (distance) C4'-P energy: -129.215
bonds (distance) P-C4' energy: -150.860
flat angles C4'-P-C4' energy: -125.475
flat angles P-C4'-P energy: -75.656
tors. eta vs tors. theta energy: -46.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -824.647070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.647070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.647070 (E_RNA)
where:
Base-Base interactions energy: -392.964
where: short stacking energy: -243.544
Base-Backbone interact. energy: 5.105
local terms energy: -436.787518
where:
bonds (distance) C4'-P energy: -111.490
bonds (distance) P-C4' energy: -148.068
flat angles C4'-P-C4' energy: -130.763
flat angles P-C4'-P energy: -54.254
tors. eta vs tors. theta energy: 7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -669.914427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.914427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.914427 (E_RNA)
where:
Base-Base interactions energy: -258.685
where: short stacking energy: -168.701
Base-Backbone interact. energy: 11.048
local terms energy: -422.277421
where:
bonds (distance) C4'-P energy: -151.880
bonds (distance) P-C4' energy: -130.858
flat angles C4'-P-C4' energy: -93.276
flat angles P-C4'-P energy: -57.032
tors. eta vs tors. theta energy: 10.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -584.217521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.217521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.217521 (E_RNA)
where:
Base-Base interactions energy: -230.487
where: short stacking energy: -155.624
Base-Backbone interact. energy: 3.621
local terms energy: -357.350752
where:
bonds (distance) C4'-P energy: -127.697
bonds (distance) P-C4' energy: -98.960
flat angles C4'-P-C4' energy: -104.157
flat angles P-C4'-P energy: -48.522
tors. eta vs tors. theta energy: 21.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -2282.828872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.828872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.828872 (E_RNA)
where:
Base-Base interactions energy: -1533.141
where: short stacking energy: -621.736
Base-Backbone interact. energy: -1.397
local terms energy: -748.290186
where:
bonds (distance) C4'-P energy: -156.067
bonds (distance) P-C4' energy: -164.181
flat angles C4'-P-C4' energy: -164.661
flat angles P-C4'-P energy: -95.985
tors. eta vs tors. theta energy: -167.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -2194.867213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.867213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.867213 (E_RNA)
where:
Base-Base interactions energy: -1420.074
where: short stacking energy: -664.848
Base-Backbone interact. energy: -2.793
local terms energy: -772.000300
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -166.126
flat angles C4'-P-C4' energy: -171.497
flat angles P-C4'-P energy: -114.904
tors. eta vs tors. theta energy: -199.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1963.006918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.006918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.006918 (E_RNA)
where:
Base-Base interactions energy: -1299.851
where: short stacking energy: -572.315
Base-Backbone interact. energy: -6.516
local terms energy: -656.639528
where:
bonds (distance) C4'-P energy: -128.065
bonds (distance) P-C4' energy: -143.891
flat angles C4'-P-C4' energy: -141.038
flat angles P-C4'-P energy: -84.147
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: 4, replica: 9
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1783.530954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.530954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.530954 (E_RNA)
where:
Base-Base interactions energy: -1161.670
where: short stacking energy: -545.789
Base-Backbone interact. energy: -2.891
local terms energy: -618.970310
where:
bonds (distance) C4'-P energy: -118.866
bonds (distance) P-C4' energy: -138.396
flat angles C4'-P-C4' energy: -149.132
flat angles P-C4'-P energy: -79.568
tors. eta vs tors. theta energy: -133.008
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: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1636.864955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.864955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.864955 (E_RNA)
where:
Base-Base interactions energy: -1023.009
where: short stacking energy: -474.781
Base-Backbone interact. energy: -1.443
local terms energy: -612.413132
where:
bonds (distance) C4'-P energy: -126.084
bonds (distance) P-C4' energy: -144.206
flat angles C4'-P-C4' energy: -128.497
flat angles P-C4'-P energy: -95.552
tors. eta vs tors. theta energy: -118.073
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: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1335.682865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.682865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.682865 (E_RNA)
where:
Base-Base interactions energy: -800.511
where: short stacking energy: -379.814
Base-Backbone interact. energy: -2.609
local terms energy: -532.561997
where:
bonds (distance) C4'-P energy: -127.551
bonds (distance) P-C4' energy: -132.710
flat angles C4'-P-C4' energy: -117.713
flat angles P-C4'-P energy: -89.040
tors. eta vs tors. theta energy: -65.548
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: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1071.754475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.754475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.754475 (E_RNA)
where:
Base-Base interactions energy: -559.052
where: short stacking energy: -278.378
Base-Backbone interact. energy: -2.175
local terms energy: -510.527985
where:
bonds (distance) C4'-P energy: -119.332
bonds (distance) P-C4' energy: -155.932
flat angles C4'-P-C4' energy: -128.053
flat angles P-C4'-P energy: -81.418
tors. eta vs tors. theta energy: -25.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -878.139944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.139944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.139944 (E_RNA)
where:
Base-Base interactions energy: -407.449
where: short stacking energy: -256.944
Base-Backbone interact. energy: -0.558
local terms energy: -470.133512
where:
bonds (distance) C4'-P energy: -110.253
bonds (distance) P-C4' energy: -132.044
flat angles C4'-P-C4' energy: -115.269
flat angles P-C4'-P energy: -87.259
tors. eta vs tors. theta energy: -25.308
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: 7
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -706.929056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.929056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.929056 (E_RNA)
where:
Base-Base interactions energy: -313.648
where: short stacking energy: -186.428
Base-Backbone interact. energy: -2.858
local terms energy: -390.423448
where:
bonds (distance) C4'-P energy: -128.255
bonds (distance) P-C4' energy: -127.952
flat angles C4'-P-C4' energy: -85.251
flat angles P-C4'-P energy: -66.849
tors. eta vs tors. theta energy: 17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -566.054020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.054020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.054020 (E_RNA)
where:
Base-Base interactions energy: -184.660
where: short stacking energy: -153.031
Base-Backbone interact. energy: -0.096
local terms energy: -381.297723
where:
bonds (distance) C4'-P energy: -126.352
bonds (distance) P-C4' energy: -112.061
flat angles C4'-P-C4' energy: -98.349
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: 31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -2269.997915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.997915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.997915 (E_RNA)
where:
Base-Base interactions energy: -1529.794
where: short stacking energy: -609.628
Base-Backbone interact. energy: -4.808
local terms energy: -735.395381
where:
bonds (distance) C4'-P energy: -138.813
bonds (distance) P-C4' energy: -156.008
flat angles C4'-P-C4' energy: -158.361
flat angles P-C4'-P energy: -113.521
tors. eta vs tors. theta energy: -168.693
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: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -2230.823637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.823637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.823637 (E_RNA)
where:
Base-Base interactions energy: -1439.857
where: short stacking energy: -658.860
Base-Backbone interact. energy: -3.727
local terms energy: -787.239311
where:
bonds (distance) C4'-P energy: -141.988
bonds (distance) P-C4' energy: -146.957
flat angles C4'-P-C4' energy: -167.449
flat angles P-C4'-P energy: -129.354
tors. eta vs tors. theta energy: -201.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1974.664423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.664423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.664423 (E_RNA)
where:
Base-Base interactions energy: -1270.607
where: short stacking energy: -577.826
Base-Backbone interact. energy: -4.916
local terms energy: -699.141679
where:
bonds (distance) C4'-P energy: -145.382
bonds (distance) P-C4' energy: -133.197
flat angles C4'-P-C4' energy: -170.251
flat angles P-C4'-P energy: -97.318
tors. eta vs tors. theta energy: -152.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1770.606501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.606501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.606501 (E_RNA)
where:
Base-Base interactions energy: -1119.510
where: short stacking energy: -521.435
Base-Backbone interact. energy: -2.125
local terms energy: -648.970708
where:
bonds (distance) C4'-P energy: -131.847
bonds (distance) P-C4' energy: -137.803
flat angles C4'-P-C4' energy: -155.355
flat angles P-C4'-P energy: -96.892
tors. eta vs tors. theta energy: -127.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1658.073627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.073627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.073627 (E_RNA)
where:
Base-Base interactions energy: -1020.756
where: short stacking energy: -477.699
Base-Backbone interact. energy: -3.481
local terms energy: -633.836820
where:
bonds (distance) C4'-P energy: -151.657
bonds (distance) P-C4' energy: -154.451
flat angles C4'-P-C4' energy: -138.657
flat angles P-C4'-P energy: -91.558
tors. eta vs tors. theta energy: -97.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1435.745299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.745299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.745299 (E_RNA)
where:
Base-Base interactions energy: -861.553
where: short stacking energy: -423.709
Base-Backbone interact. energy: -0.374
local terms energy: -573.817960
where:
bonds (distance) C4'-P energy: -122.962
bonds (distance) P-C4' energy: -148.563
flat angles C4'-P-C4' energy: -137.363
flat angles P-C4'-P energy: -85.579
tors. eta vs tors. theta energy: -79.351
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: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1022.526712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.526712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.526712 (E_RNA)
where:
Base-Base interactions energy: -533.933
where: short stacking energy: -279.478
Base-Backbone interact. energy: -2.664
local terms energy: -485.930135
where:
bonds (distance) C4'-P energy: -117.304
bonds (distance) P-C4' energy: -132.529
flat angles C4'-P-C4' energy: -138.670
flat angles P-C4'-P energy: -67.886
tors. eta vs tors. theta energy: -29.541
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: 8, replica: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -845.090805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.090805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.090805 (E_RNA)
where:
Base-Base interactions energy: -372.771
where: short stacking energy: -230.531
Base-Backbone interact. energy: -0.159
local terms energy: -472.161048
where:
bonds (distance) C4'-P energy: -129.294
bonds (distance) P-C4' energy: -136.342
flat angles C4'-P-C4' energy: -138.533
flat angles P-C4'-P energy: -71.224
tors. eta vs tors. theta energy: 3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -654.329023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.329023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.329023 (E_RNA)
where:
Base-Base interactions energy: -269.292
where: short stacking energy: -187.910
Base-Backbone interact. energy: -2.334
local terms energy: -382.702880
where:
bonds (distance) C4'-P energy: -116.814
bonds (distance) P-C4' energy: -134.239
flat angles C4'-P-C4' energy: -90.899
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: 20.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -554.359909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.359909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.359909 (E_RNA)
where:
Base-Base interactions energy: -193.449
where: short stacking energy: -168.209
Base-Backbone interact. energy: -1.349
local terms energy: -359.562796
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -106.525
flat angles C4'-P-C4' energy: -103.578
flat angles P-C4'-P energy: -59.553
tors. eta vs tors. theta energy: 18.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -2336.905932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.905932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.905932 (E_RNA)
where:
Base-Base interactions energy: -1593.785
where: short stacking energy: -654.043
Base-Backbone interact. energy: -3.171
local terms energy: -739.949475
where:
bonds (distance) C4'-P energy: -154.106
bonds (distance) P-C4' energy: -152.468
flat angles C4'-P-C4' energy: -167.528
flat angles P-C4'-P energy: -93.245
tors. eta vs tors. theta energy: -172.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -2228.715544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.715544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.715544 (E_RNA)
where:
Base-Base interactions energy: -1482.121
where: short stacking energy: -657.761
Base-Backbone interact. energy: -2.397
local terms energy: -744.197354
where:
bonds (distance) C4'-P energy: -149.769
bonds (distance) P-C4' energy: -141.874
flat angles C4'-P-C4' energy: -154.255
flat angles P-C4'-P energy: -112.624
tors. eta vs tors. theta energy: -185.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1992.555592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.555592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.555592 (E_RNA)
where:
Base-Base interactions energy: -1315.775
where: short stacking energy: -570.331
Base-Backbone interact. energy: -0.004
local terms energy: -676.776785
where:
bonds (distance) C4'-P energy: -134.366
bonds (distance) P-C4' energy: -147.290
flat angles C4'-P-C4' energy: -147.203
flat angles P-C4'-P energy: -101.474
tors. eta vs tors. theta energy: -146.444
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: 4, replica: 9
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1773.127033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.127033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.127033 (E_RNA)
where:
Base-Base interactions energy: -1102.697
where: short stacking energy: -498.842
Base-Backbone interact. energy: -3.552
local terms energy: -666.877751
where:
bonds (distance) C4'-P energy: -143.054
bonds (distance) P-C4' energy: -146.719
flat angles C4'-P-C4' energy: -141.240
flat angles P-C4'-P energy: -104.565
tors. eta vs tors. theta energy: -131.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1623.760083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.760083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.760083 (E_RNA)
where:
Base-Base interactions energy: -1051.225
where: short stacking energy: -457.059
Base-Backbone interact. energy: 0.567
local terms energy: -573.101512
where:
bonds (distance) C4'-P energy: -120.193
bonds (distance) P-C4' energy: -136.123
flat angles C4'-P-C4' energy: -138.326
flat angles P-C4'-P energy: -81.495
tors. eta vs tors. theta energy: -96.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1466.351137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.351137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.351137 (E_RNA)
where:
Base-Base interactions energy: -882.663
where: short stacking energy: -408.164
Base-Backbone interact. energy: -2.718
local terms energy: -580.970506
where:
bonds (distance) C4'-P energy: -150.021
bonds (distance) P-C4' energy: -133.537
flat angles C4'-P-C4' energy: -121.528
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -93.839
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: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1049.895186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.895186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.895186 (E_RNA)
where:
Base-Base interactions energy: -568.144
where: short stacking energy: -303.777
Base-Backbone interact. energy: -0.755
local terms energy: -480.995483
where:
bonds (distance) C4'-P energy: -117.579
bonds (distance) P-C4' energy: -134.005
flat angles C4'-P-C4' energy: -130.738
flat angles P-C4'-P energy: -59.340
tors. eta vs tors. theta energy: -39.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -823.383506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.383506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.383506 (E_RNA)
where:
Base-Base interactions energy: -406.524
where: short stacking energy: -241.332
Base-Backbone interact. energy: 1.277
local terms energy: -418.136530
where:
bonds (distance) C4'-P energy: -133.679
bonds (distance) P-C4' energy: -107.858
flat angles C4'-P-C4' energy: -106.776
flat angles P-C4'-P energy: -64.263
tors. eta vs tors. theta energy: -5.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -665.702828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.702828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.702828 (E_RNA)
where:
Base-Base interactions energy: -251.186
where: short stacking energy: -186.818
Base-Backbone interact. energy: -0.135
local terms energy: -414.381123
where:
bonds (distance) C4'-P energy: -138.279
bonds (distance) P-C4' energy: -121.422
flat angles C4'-P-C4' energy: -109.304
flat angles P-C4'-P energy: -60.660
tors. eta vs tors. theta energy: 15.285
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: 1
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -607.804772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.804772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.804772 (E_RNA)
where:
Base-Base interactions energy: -186.033
where: short stacking energy: -156.500
Base-Backbone interact. energy: 9.154
local terms energy: -430.926429
where:
bonds (distance) C4'-P energy: -134.310
bonds (distance) P-C4' energy: -130.311
flat angles C4'-P-C4' energy: -111.733
flat angles P-C4'-P energy: -77.710
tors. eta vs tors. theta energy: 23.138
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: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -2257.398289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.398289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.398289 (E_RNA)
where:
Base-Base interactions energy: -1537.766
where: short stacking energy: -608.661
Base-Backbone interact. energy: 3.355
local terms energy: -722.986650
where:
bonds (distance) C4'-P energy: -146.960
bonds (distance) P-C4' energy: -162.469
flat angles C4'-P-C4' energy: -161.606
flat angles P-C4'-P energy: -93.235
tors. eta vs tors. theta energy: -158.717
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: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -2242.863006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.863006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.863006 (E_RNA)
where:
Base-Base interactions energy: -1478.501
where: short stacking energy: -668.662
Base-Backbone interact. energy: -4.029
local terms energy: -760.333151
where:
bonds (distance) C4'-P energy: -133.577
bonds (distance) P-C4' energy: -154.203
flat angles C4'-P-C4' energy: -163.582
flat angles P-C4'-P energy: -104.666
tors. eta vs tors. theta energy: -204.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1987.742977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.742977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.742977 (E_RNA)
where:
Base-Base interactions energy: -1318.972
where: short stacking energy: -543.670
Base-Backbone interact. energy: -2.435
local terms energy: -666.336334
where:
bonds (distance) C4'-P energy: -138.723
bonds (distance) P-C4' energy: -142.661
flat angles C4'-P-C4' energy: -141.060
flat angles P-C4'-P energy: -103.624
tors. eta vs tors. theta energy: -140.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1850.842218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.842218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.842218 (E_RNA)
where:
Base-Base interactions energy: -1196.414
where: short stacking energy: -539.503
Base-Backbone interact. energy: -2.928
local terms energy: -651.499802
where:
bonds (distance) C4'-P energy: -129.385
bonds (distance) P-C4' energy: -151.406
flat angles C4'-P-C4' energy: -144.646
flat angles P-C4'-P energy: -90.229
tors. eta vs tors. theta energy: -135.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1694.757508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.757508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.757508 (E_RNA)
where:
Base-Base interactions energy: -1079.575
where: short stacking energy: -489.945
Base-Backbone interact. energy: -1.858
local terms energy: -613.324229
where:
bonds (distance) C4'-P energy: -121.835
bonds (distance) P-C4' energy: -139.873
flat angles C4'-P-C4' energy: -140.661
flat angles P-C4'-P energy: -88.568
tors. eta vs tors. theta energy: -122.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1547.791036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.791036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.791036 (E_RNA)
where:
Base-Base interactions energy: -924.604
where: short stacking energy: -437.574
Base-Backbone interact. energy: 4.181
local terms energy: -627.367877
where:
bonds (distance) C4'-P energy: -132.888
bonds (distance) P-C4' energy: -146.763
flat angles C4'-P-C4' energy: -148.718
flat angles P-C4'-P energy: -99.809
tors. eta vs tors. theta energy: -99.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1047.931600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.931600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.931600 (E_RNA)
where:
Base-Base interactions energy: -561.025
where: short stacking energy: -307.900
Base-Backbone interact. energy: 0.249
local terms energy: -487.155947
where:
bonds (distance) C4'-P energy: -129.165
bonds (distance) P-C4' energy: -132.171
flat angles C4'-P-C4' energy: -121.375
flat angles P-C4'-P energy: -72.251
tors. eta vs tors. theta energy: -32.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -871.544494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.544494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.544494 (E_RNA)
where:
Base-Base interactions energy: -446.741
where: short stacking energy: -245.732
Base-Backbone interact. energy: -3.246
local terms energy: -421.558050
where:
bonds (distance) C4'-P energy: -104.643
bonds (distance) P-C4' energy: -121.974
flat angles C4'-P-C4' energy: -118.417
flat angles P-C4'-P energy: -66.518
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -659.449499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.449499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.449499 (E_RNA)
where:
Base-Base interactions energy: -273.185
where: short stacking energy: -172.829
Base-Backbone interact. energy: 1.775
local terms energy: -388.039523
where:
bonds (distance) C4'-P energy: -99.369
bonds (distance) P-C4' energy: -139.585
flat angles C4'-P-C4' energy: -103.446
flat angles P-C4'-P energy: -63.740
tors. eta vs tors. theta energy: 18.101
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: 1
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -575.753598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.753598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.753598 (E_RNA)
where:
Base-Base interactions energy: -222.104
where: short stacking energy: -155.553
Base-Backbone interact. energy: 0.868
local terms energy: -354.517285
where:
bonds (distance) C4'-P energy: -125.803
bonds (distance) P-C4' energy: -120.266
flat angles C4'-P-C4' energy: -84.604
flat angles P-C4'-P energy: -45.138
tors. eta vs tors. theta energy: 21.293
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: 5
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -2268.975741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.975741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.975741 (E_RNA)
where:
Base-Base interactions energy: -1558.236
where: short stacking energy: -608.982
Base-Backbone interact. energy: -3.652
local terms energy: -707.088631
where:
bonds (distance) C4'-P energy: -154.433
bonds (distance) P-C4' energy: -146.523
flat angles C4'-P-C4' energy: -155.607
flat angles P-C4'-P energy: -95.829
tors. eta vs tors. theta energy: -154.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -2268.891388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.891388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.891388 (E_RNA)
where:
Base-Base interactions energy: -1493.967
where: short stacking energy: -673.583
Base-Backbone interact. energy: -3.659
local terms energy: -771.264718
where:
bonds (distance) C4'-P energy: -149.087
bonds (distance) P-C4' energy: -138.299
flat angles C4'-P-C4' energy: -170.771
flat angles P-C4'-P energy: -106.207
tors. eta vs tors. theta energy: -206.901
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: 3
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -2006.569246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.569246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.569246 (E_RNA)
where:
Base-Base interactions energy: -1343.674
where: short stacking energy: -538.750
Base-Backbone interact. energy: -4.210
local terms energy: -658.685418
where:
bonds (distance) C4'-P energy: -134.128
bonds (distance) P-C4' energy: -146.402
flat angles C4'-P-C4' energy: -157.413
flat angles P-C4'-P energy: -88.982
tors. eta vs tors. theta energy: -131.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1793.457621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.457621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.457621 (E_RNA)
where:
Base-Base interactions energy: -1117.958
where: short stacking energy: -535.801
Base-Backbone interact. energy: -1.194
local terms energy: -674.305168
where:
bonds (distance) C4'-P energy: -135.096
bonds (distance) P-C4' energy: -139.253
flat angles C4'-P-C4' energy: -151.635
flat angles P-C4'-P energy: -107.467
tors. eta vs tors. theta energy: -140.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1629.904713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.904713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.904713 (E_RNA)
where:
Base-Base interactions energy: -1026.335
where: short stacking energy: -453.629
Base-Backbone interact. energy: -6.778
local terms energy: -596.792075
where:
bonds (distance) C4'-P energy: -117.010
bonds (distance) P-C4' energy: -146.298
flat angles C4'-P-C4' energy: -148.631
flat angles P-C4'-P energy: -90.374
tors. eta vs tors. theta energy: -94.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1570.766134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.766134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.766134 (E_RNA)
where:
Base-Base interactions energy: -982.323
where: short stacking energy: -432.939
Base-Backbone interact. energy: -5.485
local terms energy: -582.958208
where:
bonds (distance) C4'-P energy: -125.519
bonds (distance) P-C4' energy: -137.536
flat angles C4'-P-C4' energy: -127.101
flat angles P-C4'-P energy: -94.277
tors. eta vs tors. theta energy: -98.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -1075.944697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.944697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.944697 (E_RNA)
where:
Base-Base interactions energy: -575.172
where: short stacking energy: -300.970
Base-Backbone interact. energy: -3.894
local terms energy: -496.878278
where:
bonds (distance) C4'-P energy: -139.733
bonds (distance) P-C4' energy: -140.231
flat angles C4'-P-C4' energy: -124.825
flat angles P-C4'-P energy: -67.483
tors. eta vs tors. theta energy: -24.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -885.923848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.923848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.923848 (E_RNA)
where:
Base-Base interactions energy: -428.124
where: short stacking energy: -240.908
Base-Backbone interact. energy: -2.132
local terms energy: -455.668107
where:
bonds (distance) C4'-P energy: -121.872
bonds (distance) P-C4' energy: -135.679
flat angles C4'-P-C4' energy: -133.780
flat angles P-C4'-P energy: -62.289
tors. eta vs tors. theta energy: -2.048
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: 7
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -738.311016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.311016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.311016 (E_RNA)
where:
Base-Base interactions energy: -305.294
where: short stacking energy: -223.612
Base-Backbone interact. energy: 2.091
local terms energy: -435.107828
where:
bonds (distance) C4'-P energy: -128.428
bonds (distance) P-C4' energy: -121.035
flat angles C4'-P-C4' energy: -87.303
flat angles P-C4'-P energy: -89.319
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -589.480218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.480218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.480218 (E_RNA)
where:
Base-Base interactions energy: -232.348
where: short stacking energy: -144.783
Base-Backbone interact. energy: 0.317
local terms energy: -357.449084
where:
bonds (distance) C4'-P energy: -113.511
bonds (distance) P-C4' energy: -127.516
flat angles C4'-P-C4' energy: -109.009
flat angles P-C4'-P energy: -41.913
tors. eta vs tors. theta energy: 34.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -2285.193292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.193292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.193292 (E_RNA)
where:
Base-Base interactions energy: -1564.715
where: short stacking energy: -593.687
Base-Backbone interact. energy: -1.922
local terms energy: -718.556547
where:
bonds (distance) C4'-P energy: -157.203
bonds (distance) P-C4' energy: -147.926
flat angles C4'-P-C4' energy: -156.025
flat angles P-C4'-P energy: -90.746
tors. eta vs tors. theta energy: -166.657
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: 4
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -2299.558603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.558603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.558603 (E_RNA)
where:
Base-Base interactions energy: -1499.900
where: short stacking energy: -681.380
Base-Backbone interact. energy: -2.934
local terms energy: -796.723930
where:
bonds (distance) C4'-P energy: -164.449
bonds (distance) P-C4' energy: -164.444
flat angles C4'-P-C4' energy: -165.284
flat angles P-C4'-P energy: -102.563
tors. eta vs tors. theta energy: -199.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -2081.262367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.262367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.262367 (E_RNA)
where:
Base-Base interactions energy: -1386.757
where: short stacking energy: -572.645
Base-Backbone interact. energy: -3.901
local terms energy: -690.603667
where:
bonds (distance) C4'-P energy: -124.099
bonds (distance) P-C4' energy: -158.501
flat angles C4'-P-C4' energy: -156.310
flat angles P-C4'-P energy: -102.087
tors. eta vs tors. theta energy: -149.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1855.567945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.567945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.567945 (E_RNA)
where:
Base-Base interactions energy: -1172.137
where: short stacking energy: -559.596
Base-Backbone interact. energy: -3.038
local terms energy: -680.392190
where:
bonds (distance) C4'-P energy: -134.312
bonds (distance) P-C4' energy: -155.796
flat angles C4'-P-C4' energy: -153.010
flat angles P-C4'-P energy: -90.736
tors. eta vs tors. theta energy: -146.539
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: 5, replica: 10
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1691.961837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.961837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.961837 (E_RNA)
where:
Base-Base interactions energy: -1063.884
where: short stacking energy: -478.465
Base-Backbone interact. energy: -0.036
local terms energy: -628.041178
where:
bonds (distance) C4'-P energy: -126.379
bonds (distance) P-C4' energy: -163.758
flat angles C4'-P-C4' energy: -134.569
flat angles P-C4'-P energy: -96.559
tors. eta vs tors. theta energy: -106.776
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: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1706.421362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.421362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.421362 (E_RNA)
where:
Base-Base interactions energy: -1087.376
where: short stacking energy: -482.005
Base-Backbone interact. energy: -1.008
local terms energy: -618.037444
where:
bonds (distance) C4'-P energy: -127.035
bonds (distance) P-C4' energy: -134.779
flat angles C4'-P-C4' energy: -144.504
flat angles P-C4'-P energy: -88.884
tors. eta vs tors. theta energy: -122.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1091.275936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.275936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.275936 (E_RNA)
where:
Base-Base interactions energy: -603.005
where: short stacking energy: -308.902
Base-Backbone interact. energy: -1.088
local terms energy: -487.182511
where:
bonds (distance) C4'-P energy: -121.745
bonds (distance) P-C4' energy: -126.426
flat angles C4'-P-C4' energy: -129.691
flat angles P-C4'-P energy: -59.297
tors. eta vs tors. theta energy: -50.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -812.979130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.979130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.979130 (E_RNA)
where:
Base-Base interactions energy: -394.384
where: short stacking energy: -226.505
Base-Backbone interact. energy: 1.903
local terms energy: -420.497844
where:
bonds (distance) C4'-P energy: -105.489
bonds (distance) P-C4' energy: -140.669
flat angles C4'-P-C4' energy: -126.368
flat angles P-C4'-P energy: -42.726
tors. eta vs tors. theta energy: -5.246
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: 7
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -680.542123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.542123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.542123 (E_RNA)
where:
Base-Base interactions energy: -296.600
where: short stacking energy: -161.183
Base-Backbone interact. energy: 3.905
local terms energy: -387.847765
where:
bonds (distance) C4'-P energy: -122.142
bonds (distance) P-C4' energy: -123.151
flat angles C4'-P-C4' energy: -107.350
flat angles P-C4'-P energy: -61.495
tors. eta vs tors. theta energy: 26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -571.952738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.952738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.952738 (E_RNA)
where:
Base-Base interactions energy: -165.800
where: short stacking energy: -133.988
Base-Backbone interact. energy: -1.611
local terms energy: -404.542279
where:
bonds (distance) C4'-P energy: -121.209
bonds (distance) P-C4' energy: -125.584
flat angles C4'-P-C4' energy: -113.733
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: 26.264
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: 5
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -2268.090656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.090656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.090656 (E_RNA)
where:
Base-Base interactions energy: -1538.759
where: short stacking energy: -578.458
Base-Backbone interact. energy: -6.339
local terms energy: -722.992563
where:
bonds (distance) C4'-P energy: -145.407
bonds (distance) P-C4' energy: -151.974
flat angles C4'-P-C4' energy: -165.150
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -164.537
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: 2, replica: 4
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -2302.232565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.232565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.232565 (E_RNA)
where:
Base-Base interactions energy: -1520.232
where: short stacking energy: -723.731
Base-Backbone interact. energy: -5.643
local terms energy: -776.358142
where:
bonds (distance) C4'-P energy: -128.734
bonds (distance) P-C4' energy: -142.020
flat angles C4'-P-C4' energy: -179.904
flat angles P-C4'-P energy: -114.367
tors. eta vs tors. theta energy: -211.334
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: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -2024.951831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.951831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.951831 (E_RNA)
where:
Base-Base interactions energy: -1348.627
where: short stacking energy: -561.302
Base-Backbone interact. energy: -3.595
local terms energy: -672.729716
where:
bonds (distance) C4'-P energy: -145.088
bonds (distance) P-C4' energy: -135.965
flat angles C4'-P-C4' energy: -146.734
flat angles P-C4'-P energy: -104.315
tors. eta vs tors. theta energy: -140.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1935.175292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.175292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.175292 (E_RNA)
where:
Base-Base interactions energy: -1247.505
where: short stacking energy: -560.026
Base-Backbone interact. energy: 2.011
local terms energy: -689.682039
where:
bonds (distance) C4'-P energy: -139.234
bonds (distance) P-C4' energy: -154.432
flat angles C4'-P-C4' energy: -152.828
flat angles P-C4'-P energy: -91.679
tors. eta vs tors. theta energy: -151.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1833.038339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.038339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.038339 (E_RNA)
where:
Base-Base interactions energy: -1187.155
where: short stacking energy: -551.025
Base-Backbone interact. energy: -1.351
local terms energy: -644.531423
where:
bonds (distance) C4'-P energy: -123.565
bonds (distance) P-C4' energy: -139.092
flat angles C4'-P-C4' energy: -140.844
flat angles P-C4'-P energy: -101.680
tors. eta vs tors. theta energy: -139.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1548.349843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.349843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.349843 (E_RNA)
where:
Base-Base interactions energy: -973.204
where: short stacking energy: -449.434
Base-Backbone interact. energy: -0.080
local terms energy: -575.066384
where:
bonds (distance) C4'-P energy: -127.690
bonds (distance) P-C4' energy: -111.517
flat angles C4'-P-C4' energy: -147.547
flat angles P-C4'-P energy: -94.928
tors. eta vs tors. theta energy: -93.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1071.968371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.968371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.968371 (E_RNA)
where:
Base-Base interactions energy: -603.955
where: short stacking energy: -312.726
Base-Backbone interact. energy: 2.328
local terms energy: -470.340572
where:
bonds (distance) C4'-P energy: -129.559
bonds (distance) P-C4' energy: -118.869
flat angles C4'-P-C4' energy: -125.062
flat angles P-C4'-P energy: -79.518
tors. eta vs tors. theta energy: -17.332
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: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -789.090286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.090286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.090286 (E_RNA)
where:
Base-Base interactions energy: -358.232
where: short stacking energy: -224.731
Base-Backbone interact. energy: 1.002
local terms energy: -431.861004
where:
bonds (distance) C4'-P energy: -124.763
bonds (distance) P-C4' energy: -129.170
flat angles C4'-P-C4' energy: -128.490
flat angles P-C4'-P energy: -63.444
tors. eta vs tors. theta energy: 14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -711.527634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.527634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.527634 (E_RNA)
where:
Base-Base interactions energy: -329.234
where: short stacking energy: -236.299
Base-Backbone interact. energy: -2.620
local terms energy: -379.673313
where:
bonds (distance) C4'-P energy: -101.425
bonds (distance) P-C4' energy: -110.410
flat angles C4'-P-C4' energy: -101.275
flat angles P-C4'-P energy: -64.264
tors. eta vs tors. theta energy: -2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -576.295809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.295809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.295809 (E_RNA)
where:
Base-Base interactions energy: -197.329
where: short stacking energy: -146.500
Base-Backbone interact. energy: 3.123
local terms energy: -382.089807
where:
bonds (distance) C4'-P energy: -113.054
bonds (distance) P-C4' energy: -124.059
flat angles C4'-P-C4' energy: -92.804
flat angles P-C4'-P energy: -73.203
tors. eta vs tors. theta energy: 21.031
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: 1, replica: 5
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -2306.021818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.021818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.021818 (E_RNA)
where:
Base-Base interactions energy: -1573.009
where: short stacking energy: -643.868
Base-Backbone interact. energy: -4.332
local terms energy: -728.680466
where:
bonds (distance) C4'-P energy: -143.248
bonds (distance) P-C4' energy: -139.198
flat angles C4'-P-C4' energy: -168.489
flat angles P-C4'-P energy: -97.787
tors. eta vs tors. theta energy: -179.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -2317.273098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.273098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.273098 (E_RNA)
where:
Base-Base interactions energy: -1545.463
where: short stacking energy: -679.517
Base-Backbone interact. energy: 4.028
local terms energy: -775.838194
where:
bonds (distance) C4'-P energy: -151.491
bonds (distance) P-C4' energy: -142.105
flat angles C4'-P-C4' energy: -162.006
flat angles P-C4'-P energy: -114.311
tors. eta vs tors. theta energy: -205.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -2147.090917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.090917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.090917 (E_RNA)
where:
Base-Base interactions energy: -1473.284
where: short stacking energy: -609.551
Base-Backbone interact. energy: -5.850
local terms energy: -667.956580
where:
bonds (distance) C4'-P energy: -123.593
bonds (distance) P-C4' energy: -143.890
flat angles C4'-P-C4' energy: -148.685
flat angles P-C4'-P energy: -87.466
tors. eta vs tors. theta energy: -164.323
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: 9
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1943.582000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.582000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.582000 (E_RNA)
where:
Base-Base interactions energy: -1232.938
where: short stacking energy: -530.153
Base-Backbone interact. energy: -4.280
local terms energy: -706.364003
where:
bonds (distance) C4'-P energy: -148.818
bonds (distance) P-C4' energy: -141.401
flat angles C4'-P-C4' energy: -152.804
flat angles P-C4'-P energy: -108.339
tors. eta vs tors. theta energy: -155.002
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: 47
Temperature: 1.100000
Total energy: -1779.003676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.003676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.003676 (E_RNA)
where:
Base-Base interactions energy: -1134.463
where: short stacking energy: -501.063
Base-Backbone interact. energy: -1.272
local terms energy: -643.268500
where:
bonds (distance) C4'-P energy: -129.480
bonds (distance) P-C4' energy: -136.183
flat angles C4'-P-C4' energy: -146.721
flat angles P-C4'-P energy: -90.301
tors. eta vs tors. theta energy: -140.584
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: 6, replica: 10
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1580.081281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.081281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.081281 (E_RNA)
where:
Base-Base interactions energy: -1002.716
where: short stacking energy: -462.490
Base-Backbone interact. energy: -1.938
local terms energy: -575.427555
where:
bonds (distance) C4'-P energy: -125.479
bonds (distance) P-C4' energy: -132.417
flat angles C4'-P-C4' energy: -122.530
flat angles P-C4'-P energy: -89.837
tors. eta vs tors. theta energy: -105.166
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: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1169.273041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.273041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.273041 (E_RNA)
where:
Base-Base interactions energy: -654.932
where: short stacking energy: -322.679
Base-Backbone interact. energy: -4.649
local terms energy: -509.692690
where:
bonds (distance) C4'-P energy: -138.065
bonds (distance) P-C4' energy: -128.091
flat angles C4'-P-C4' energy: -132.059
flat angles P-C4'-P energy: -76.387
tors. eta vs tors. theta energy: -35.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -781.810397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.810397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.810397 (E_RNA)
where:
Base-Base interactions energy: -355.884
where: short stacking energy: -212.131
Base-Backbone interact. energy: -0.891
local terms energy: -425.034975
where:
bonds (distance) C4'-P energy: -108.327
bonds (distance) P-C4' energy: -138.674
flat angles C4'-P-C4' energy: -90.581
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -4.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -717.259795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.259795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.259795 (E_RNA)
where:
Base-Base interactions energy: -281.872
where: short stacking energy: -183.052
Base-Backbone interact. energy: -0.207
local terms energy: -435.181651
where:
bonds (distance) C4'-P energy: -127.422
bonds (distance) P-C4' energy: -127.012
flat angles C4'-P-C4' energy: -100.898
flat angles P-C4'-P energy: -82.389
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: 1
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -604.228119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.228119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.228119 (E_RNA)
where:
Base-Base interactions energy: -203.733
where: short stacking energy: -157.818
Base-Backbone interact. energy: 0.289
local terms energy: -400.783937
where:
bonds (distance) C4'-P energy: -119.841
bonds (distance) P-C4' energy: -129.425
flat angles C4'-P-C4' energy: -104.644
flat angles P-C4'-P energy: -64.746
tors. eta vs tors. theta energy: 17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -2380.249563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.249563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.249563 (E_RNA)
where:
Base-Base interactions energy: -1600.639
where: short stacking energy: -725.335
Base-Backbone interact. energy: -2.863
local terms energy: -776.747541
where:
bonds (distance) C4'-P energy: -149.064
bonds (distance) P-C4' energy: -156.608
flat angles C4'-P-C4' energy: -178.093
flat angles P-C4'-P energy: -82.897
tors. eta vs tors. theta energy: -210.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -2264.160355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.160355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.160355 (E_RNA)
where:
Base-Base interactions energy: -1562.162
where: short stacking energy: -636.714
Base-Backbone interact. energy: -3.575
local terms energy: -698.422801
where:
bonds (distance) C4'-P energy: -133.164
bonds (distance) P-C4' energy: -150.862
flat angles C4'-P-C4' energy: -154.119
flat angles P-C4'-P energy: -102.063
tors. eta vs tors. theta energy: -158.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -2152.672523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.672523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.672523 (E_RNA)
where:
Base-Base interactions energy: -1454.575
where: short stacking energy: -592.541
Base-Backbone interact. energy: -2.518
local terms energy: -695.578754
where:
bonds (distance) C4'-P energy: -131.241
bonds (distance) P-C4' energy: -134.209
flat angles C4'-P-C4' energy: -155.605
flat angles P-C4'-P energy: -108.401
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: 4, replica: 9
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1939.779966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.779966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.779966 (E_RNA)
where:
Base-Base interactions energy: -1264.920
where: short stacking energy: -541.651
Base-Backbone interact. energy: -6.150
local terms energy: -668.710506
where:
bonds (distance) C4'-P energy: -126.531
bonds (distance) P-C4' energy: -149.586
flat angles C4'-P-C4' energy: -153.232
flat angles P-C4'-P energy: -104.420
tors. eta vs tors. theta energy: -134.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1806.332511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.332511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.332511 (E_RNA)
where:
Base-Base interactions energy: -1143.082
where: short stacking energy: -475.542
Base-Backbone interact. energy: -0.239
local terms energy: -663.011485
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -150.936
flat angles C4'-P-C4' energy: -153.217
flat angles P-C4'-P energy: -108.717
tors. eta vs tors. theta energy: -121.892
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: 6, replica: 10
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1579.937108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.937108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.937108 (E_RNA)
where:
Base-Base interactions energy: -968.506
where: short stacking energy: -450.142
Base-Backbone interact. energy: -2.509
local terms energy: -608.922290
where:
bonds (distance) C4'-P energy: -128.957
bonds (distance) P-C4' energy: -143.951
flat angles C4'-P-C4' energy: -143.960
flat angles P-C4'-P energy: -86.206
tors. eta vs tors. theta energy: -105.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1094.409195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.409195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.409195 (E_RNA)
where:
Base-Base interactions energy: -567.805
where: short stacking energy: -295.069
Base-Backbone interact. energy: -2.582
local terms energy: -524.021525
where:
bonds (distance) C4'-P energy: -132.117
bonds (distance) P-C4' energy: -147.546
flat angles C4'-P-C4' energy: -140.056
flat angles P-C4'-P energy: -68.773
tors. eta vs tors. theta energy: -35.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -802.859329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.859329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.859329 (E_RNA)
where:
Base-Base interactions energy: -348.836
where: short stacking energy: -212.249
Base-Backbone interact. energy: -2.481
local terms energy: -451.543077
where:
bonds (distance) C4'-P energy: -153.189
bonds (distance) P-C4' energy: -138.547
flat angles C4'-P-C4' energy: -101.437
flat angles P-C4'-P energy: -74.269
tors. eta vs tors. theta energy: 15.898
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: 7
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -703.588779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.588779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.588779 (E_RNA)
where:
Base-Base interactions energy: -300.409
where: short stacking energy: -168.619
Base-Backbone interact. energy: -2.656
local terms energy: -400.524046
where:
bonds (distance) C4'-P energy: -129.079
bonds (distance) P-C4' energy: -108.280
flat angles C4'-P-C4' energy: -120.696
flat angles P-C4'-P energy: -61.551
tors. eta vs tors. theta energy: 19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -588.999601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.999601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.999601 (E_RNA)
where:
Base-Base interactions energy: -210.070
where: short stacking energy: -148.483
Base-Backbone interact. energy: 5.357
local terms energy: -384.287143
where:
bonds (distance) C4'-P energy: -108.097
bonds (distance) P-C4' energy: -123.556
flat angles C4'-P-C4' energy: -106.564
flat angles P-C4'-P energy: -70.871
tors. eta vs tors. theta energy: 24.802
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: 1, replica: 4
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -2375.294447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.294447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.294447 (E_RNA)
where:
Base-Base interactions energy: -1584.177
where: short stacking energy: -733.175
Base-Backbone interact. energy: -2.224
local terms energy: -788.892630
where:
bonds (distance) C4'-P energy: -150.108
bonds (distance) P-C4' energy: -134.424
flat angles C4'-P-C4' energy: -172.411
flat angles P-C4'-P energy: -110.486
tors. eta vs tors. theta energy: -221.464
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: 2, replica: 5
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -2243.518787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.518787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.518787 (E_RNA)
where:
Base-Base interactions energy: -1554.115
where: short stacking energy: -633.861
Base-Backbone interact. energy: -5.275
local terms energy: -684.129152
where:
bonds (distance) C4'-P energy: -138.830
bonds (distance) P-C4' energy: -137.792
flat angles C4'-P-C4' energy: -163.290
flat angles P-C4'-P energy: -99.642
tors. eta vs tors. theta energy: -144.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -2137.552699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.552699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.552699 (E_RNA)
where:
Base-Base interactions energy: -1417.128
where: short stacking energy: -584.851
Base-Backbone interact. energy: 0.439
local terms energy: -720.864030
where:
bonds (distance) C4'-P energy: -154.329
bonds (distance) P-C4' energy: -139.820
flat angles C4'-P-C4' energy: -157.586
flat angles P-C4'-P energy: -114.772
tors. eta vs tors. theta energy: -154.358
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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1981.048290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.048290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.048290 (E_RNA)
where:
Base-Base interactions energy: -1325.879
where: short stacking energy: -565.457
Base-Backbone interact. energy: 5.590
local terms energy: -660.759214
where:
bonds (distance) C4'-P energy: -113.669
bonds (distance) P-C4' energy: -130.856
flat angles C4'-P-C4' energy: -166.389
flat angles P-C4'-P energy: -88.194
tors. eta vs tors. theta energy: -161.651
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: 5, replica: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1811.777343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.777343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.777343 (E_RNA)
where:
Base-Base interactions energy: -1138.891
where: short stacking energy: -514.408
Base-Backbone interact. energy: -1.368
local terms energy: -671.518187
where:
bonds (distance) C4'-P energy: -138.821
bonds (distance) P-C4' energy: -146.378
flat angles C4'-P-C4' energy: -148.488
flat angles P-C4'-P energy: -103.281
tors. eta vs tors. theta energy: -134.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1570.976830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.976830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.976830 (E_RNA)
where:
Base-Base interactions energy: -1001.600
where: short stacking energy: -451.749
Base-Backbone interact. energy: -0.020
local terms energy: -569.357024
where:
bonds (distance) C4'-P energy: -128.296
bonds (distance) P-C4' energy: -132.500
flat angles C4'-P-C4' energy: -125.750
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -103.671
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: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1163.447086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.447086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.447086 (E_RNA)
where:
Base-Base interactions energy: -652.231
where: short stacking energy: -312.023
Base-Backbone interact. energy: -3.653
local terms energy: -507.563025
where:
bonds (distance) C4'-P energy: -125.047
bonds (distance) P-C4' energy: -132.204
flat angles C4'-P-C4' energy: -121.246
flat angles P-C4'-P energy: -77.335
tors. eta vs tors. theta energy: -51.731
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: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -811.884061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.884061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.884061 (E_RNA)
where:
Base-Base interactions energy: -352.979
where: short stacking energy: -250.192
Base-Backbone interact. energy: 4.689
local terms energy: -463.594321
where:
bonds (distance) C4'-P energy: -113.310
bonds (distance) P-C4' energy: -138.904
flat angles C4'-P-C4' energy: -110.681
flat angles P-C4'-P energy: -73.442
tors. eta vs tors. theta energy: -27.258
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: 49
Temperature: 1.300000
Total energy: -712.824394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.824394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.824394 (E_RNA)
where:
Base-Base interactions energy: -296.175
where: short stacking energy: -208.814
Base-Backbone interact. energy: -0.799
local terms energy: -415.851037
where:
bonds (distance) C4'-P energy: -121.945
bonds (distance) P-C4' energy: -134.954
flat angles C4'-P-C4' energy: -100.561
flat angles P-C4'-P energy: -80.151
tors. eta vs tors. theta energy: 21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -592.904351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.904351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.904351 (E_RNA)
where:
Base-Base interactions energy: -221.048
where: short stacking energy: -156.398
Base-Backbone interact. energy: -0.775
local terms energy: -371.081843
where:
bonds (distance) C4'-P energy: -120.673
bonds (distance) P-C4' energy: -130.996
flat angles C4'-P-C4' energy: -95.586
flat angles P-C4'-P energy: -48.160
tors. eta vs tors. theta energy: 24.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -2405.829108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.829108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.829108 (E_RNA)
where:
Base-Base interactions energy: -1585.131
where: short stacking energy: -716.162
Base-Backbone interact. energy: -5.141
local terms energy: -815.557143
where:
bonds (distance) C4'-P energy: -149.299
bonds (distance) P-C4' energy: -151.819
flat angles C4'-P-C4' energy: -178.588
flat angles P-C4'-P energy: -119.802
tors. eta vs tors. theta energy: -216.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -2205.594591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.594591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.594591 (E_RNA)
where:
Base-Base interactions energy: -1504.046
where: short stacking energy: -619.451
Base-Backbone interact. energy: -4.975
local terms energy: -696.573429
where:
bonds (distance) C4'-P energy: -152.334
bonds (distance) P-C4' energy: -143.220
flat angles C4'-P-C4' energy: -159.238
flat angles P-C4'-P energy: -91.479
tors. eta vs tors. theta energy: -150.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -2052.376692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.376692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.376692 (E_RNA)
where:
Base-Base interactions energy: -1392.273
where: short stacking energy: -594.006
Base-Backbone interact. energy: -5.738
local terms energy: -654.365825
where:
bonds (distance) C4'-P energy: -140.711
bonds (distance) P-C4' energy: -144.405
flat angles C4'-P-C4' energy: -140.419
flat angles P-C4'-P energy: -75.843
tors. eta vs tors. theta energy: -152.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1978.767511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.767511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.767511 (E_RNA)
where:
Base-Base interactions energy: -1330.582
where: short stacking energy: -586.751
Base-Backbone interact. energy: -3.022
local terms energy: -645.163896
where:
bonds (distance) C4'-P energy: -137.280
bonds (distance) P-C4' energy: -126.873
flat angles C4'-P-C4' energy: -148.000
flat angles P-C4'-P energy: -88.106
tors. eta vs tors. theta energy: -144.906
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: 50
Temperature: 1.100000
Total energy: -1808.563243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.563243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.563243 (E_RNA)
where:
Base-Base interactions energy: -1177.049
where: short stacking energy: -486.869
Base-Backbone interact. energy: -1.525
local terms energy: -629.989228
where:
bonds (distance) C4'-P energy: -142.759
bonds (distance) P-C4' energy: -138.488
flat angles C4'-P-C4' energy: -143.306
flat angles P-C4'-P energy: -94.352
tors. eta vs tors. theta energy: -111.085
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: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1645.531635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.531635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.531635 (E_RNA)
where:
Base-Base interactions energy: -1010.528
where: short stacking energy: -453.753
Base-Backbone interact. energy: -2.699
local terms energy: -632.304397
where:
bonds (distance) C4'-P energy: -129.910
bonds (distance) P-C4' energy: -146.719
flat angles C4'-P-C4' energy: -151.143
flat angles P-C4'-P energy: -95.773
tors. eta vs tors. theta energy: -108.760
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: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1109.041850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.041850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.041850 (E_RNA)
where:
Base-Base interactions energy: -577.805
where: short stacking energy: -285.357
Base-Backbone interact. energy: 0.064
local terms energy: -531.301046
where:
bonds (distance) C4'-P energy: -140.384
bonds (distance) P-C4' energy: -145.533
flat angles C4'-P-C4' energy: -118.825
flat angles P-C4'-P energy: -81.384
tors. eta vs tors. theta energy: -45.175
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -760.898356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.898356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.898356 (E_RNA)
where:
Base-Base interactions energy: -307.844
where: short stacking energy: -225.689
Base-Backbone interact. energy: 4.947
local terms energy: -458.001507
where:
bonds (distance) C4'-P energy: -138.505
bonds (distance) P-C4' energy: -123.111
flat angles C4'-P-C4' energy: -125.849
flat angles P-C4'-P energy: -65.133
tors. eta vs tors. theta energy: -5.404
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: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -688.801115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.801115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.801115 (E_RNA)
where:
Base-Base interactions energy: -291.705
where: short stacking energy: -199.313
Base-Backbone interact. energy: -1.887
local terms energy: -395.209714
where:
bonds (distance) C4'-P energy: -111.946
bonds (distance) P-C4' energy: -141.854
flat angles C4'-P-C4' energy: -97.232
flat angles P-C4'-P energy: -52.499
tors. eta vs tors. theta energy: 8.321
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: 1
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -541.242304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.242304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.242304 (E_RNA)
where:
Base-Base interactions energy: -185.528
where: short stacking energy: -161.233
Base-Backbone interact. energy: -0.165
local terms energy: -355.549395
where:
bonds (distance) C4'-P energy: -121.488
bonds (distance) P-C4' energy: -118.117
flat angles C4'-P-C4' energy: -112.926
flat angles P-C4'-P energy: -47.801
tors. eta vs tors. theta energy: 44.783
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: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -2358.871061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.871061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.871061 (E_RNA)
where:
Base-Base interactions energy: -1586.257
where: short stacking energy: -722.701
Base-Backbone interact. energy: 0.113
local terms energy: -772.726903
where:
bonds (distance) C4'-P energy: -129.773
bonds (distance) P-C4' energy: -146.961
flat angles C4'-P-C4' energy: -173.522
flat angles P-C4'-P energy: -109.461
tors. eta vs tors. theta energy: -213.010
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: 5
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -2264.534957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.534957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.534957 (E_RNA)
where:
Base-Base interactions energy: -1534.748
where: short stacking energy: -628.177
Base-Backbone interact. energy: -1.695
local terms energy: -728.092504
where:
bonds (distance) C4'-P energy: -152.641
bonds (distance) P-C4' energy: -147.628
flat angles C4'-P-C4' energy: -155.470
flat angles P-C4'-P energy: -98.416
tors. eta vs tors. theta energy: -173.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -2043.004122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.004122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.004122 (E_RNA)
where:
Base-Base interactions energy: -1340.056
where: short stacking energy: -559.469
Base-Backbone interact. energy: 3.054
local terms energy: -706.003052
where:
bonds (distance) C4'-P energy: -144.359
bonds (distance) P-C4' energy: -150.499
flat angles C4'-P-C4' energy: -156.798
flat angles P-C4'-P energy: -102.349
tors. eta vs tors. theta energy: -151.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -2019.708237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.708237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.708237 (E_RNA)
where:
Base-Base interactions energy: -1328.494
where: short stacking energy: -572.511
Base-Backbone interact. energy: -4.424
local terms energy: -686.790474
where:
bonds (distance) C4'-P energy: -129.829
bonds (distance) P-C4' energy: -130.642
flat angles C4'-P-C4' energy: -161.783
flat angles P-C4'-P energy: -100.367
tors. eta vs tors. theta energy: -164.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1837.981538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.981538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.981538 (E_RNA)
where:
Base-Base interactions energy: -1217.333
where: short stacking energy: -514.128
Base-Backbone interact. energy: -1.825
local terms energy: -618.823091
where:
bonds (distance) C4'-P energy: -135.691
bonds (distance) P-C4' energy: -134.631
flat angles C4'-P-C4' energy: -134.144
flat angles P-C4'-P energy: -86.352
tors. eta vs tors. theta energy: -128.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1598.961750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.961750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.961750 (E_RNA)
where:
Base-Base interactions energy: -985.696
where: short stacking energy: -407.840
Base-Backbone interact. energy: -4.244
local terms energy: -609.021608
where:
bonds (distance) C4'-P energy: -133.777
bonds (distance) P-C4' energy: -133.284
flat angles C4'-P-C4' energy: -152.171
flat angles P-C4'-P energy: -107.292
tors. eta vs tors. theta energy: -82.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1115.531102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.531102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.531102 (E_RNA)
where:
Base-Base interactions energy: -603.403
where: short stacking energy: -320.724
Base-Backbone interact. energy: 2.985
local terms energy: -515.112828
where:
bonds (distance) C4'-P energy: -128.227
bonds (distance) P-C4' energy: -135.998
flat angles C4'-P-C4' energy: -130.805
flat angles P-C4'-P energy: -66.098
tors. eta vs tors. theta energy: -53.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -731.389745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.389745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.389745 (E_RNA)
where:
Base-Base interactions energy: -335.661
where: short stacking energy: -210.148
Base-Backbone interact. energy: -1.775
local terms energy: -393.953964
where:
bonds (distance) C4'-P energy: -120.118
bonds (distance) P-C4' energy: -126.951
flat angles C4'-P-C4' energy: -97.517
flat angles P-C4'-P energy: -64.909
tors. eta vs tors. theta energy: 15.542
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: 7
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -716.924918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.924918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.924918 (E_RNA)
where:
Base-Base interactions energy: -294.141
where: short stacking energy: -212.259
Base-Backbone interact. energy: -0.820
local terms energy: -421.963544
where:
bonds (distance) C4'-P energy: -134.090
bonds (distance) P-C4' energy: -129.804
flat angles C4'-P-C4' energy: -106.063
flat angles P-C4'-P energy: -64.068
tors. eta vs tors. theta energy: 12.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -564.609296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.609296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.609296 (E_RNA)
where:
Base-Base interactions energy: -193.242
where: short stacking energy: -151.557
Base-Backbone interact. energy: -1.175
local terms energy: -370.191959
where:
bonds (distance) C4'-P energy: -125.478
bonds (distance) P-C4' energy: -123.238
flat angles C4'-P-C4' energy: -93.223
flat angles P-C4'-P energy: -62.979
tors. eta vs tors. theta energy: 34.726
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: 4
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -2374.617181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.617181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.617181 (E_RNA)
where:
Base-Base interactions energy: -1573.667
where: short stacking energy: -711.868
Base-Backbone interact. energy: -3.264
local terms energy: -797.686066
where:
bonds (distance) C4'-P energy: -147.075
bonds (distance) P-C4' energy: -150.627
flat angles C4'-P-C4' energy: -161.901
flat angles P-C4'-P energy: -117.713
tors. eta vs tors. theta energy: -220.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -2327.715590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.715590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.715590 (E_RNA)
where:
Base-Base interactions energy: -1588.648
where: short stacking energy: -641.436
Base-Backbone interact. energy: -2.538
local terms energy: -736.529606
where:
bonds (distance) C4'-P energy: -141.660
bonds (distance) P-C4' energy: -144.322
flat angles C4'-P-C4' energy: -154.872
flat angles P-C4'-P energy: -120.057
tors. eta vs tors. theta energy: -175.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -2077.338404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.338404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.338404 (E_RNA)
where:
Base-Base interactions energy: -1412.132
where: short stacking energy: -589.543
Base-Backbone interact. energy: -3.217
local terms energy: -661.989196
where:
bonds (distance) C4'-P energy: -141.403
bonds (distance) P-C4' energy: -139.632
flat angles C4'-P-C4' energy: -147.590
flat angles P-C4'-P energy: -75.720
tors. eta vs tors. theta energy: -157.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1974.835964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.835964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.835964 (E_RNA)
where:
Base-Base interactions energy: -1309.819
where: short stacking energy: -553.527
Base-Backbone interact. energy: -1.094
local terms energy: -663.923023
where:
bonds (distance) C4'-P energy: -124.453
bonds (distance) P-C4' energy: -142.599
flat angles C4'-P-C4' energy: -156.662
flat angles P-C4'-P energy: -90.067
tors. eta vs tors. theta energy: -150.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1879.921997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.921997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.921997 (E_RNA)
where:
Base-Base interactions energy: -1249.744
where: short stacking energy: -561.559
Base-Backbone interact. energy: 0.776
local terms energy: -630.954467
where:
bonds (distance) C4'-P energy: -108.424
bonds (distance) P-C4' energy: -136.632
flat angles C4'-P-C4' energy: -159.198
flat angles P-C4'-P energy: -78.134
tors. eta vs tors. theta energy: -148.567
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: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1582.743035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.743035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.743035 (E_RNA)
where:
Base-Base interactions energy: -1031.058
where: short stacking energy: -470.061
Base-Backbone interact. energy: 1.049
local terms energy: -552.734359
where:
bonds (distance) C4'-P energy: -108.951
bonds (distance) P-C4' energy: -134.761
flat angles C4'-P-C4' energy: -123.816
flat angles P-C4'-P energy: -89.566
tors. eta vs tors. theta energy: -95.641
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: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1090.803342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.803342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.803342 (E_RNA)
where:
Base-Base interactions energy: -589.507
where: short stacking energy: -307.750
Base-Backbone interact. energy: -1.569
local terms energy: -499.726962
where:
bonds (distance) C4'-P energy: -113.716
bonds (distance) P-C4' energy: -149.495
flat angles C4'-P-C4' energy: -119.928
flat angles P-C4'-P energy: -71.587
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -763.054986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.054986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.054986 (E_RNA)
where:
Base-Base interactions energy: -330.629
where: short stacking energy: -212.600
Base-Backbone interact. energy: -0.480
local terms energy: -431.946359
where:
bonds (distance) C4'-P energy: -113.231
bonds (distance) P-C4' energy: -128.981
flat angles C4'-P-C4' energy: -113.510
flat angles P-C4'-P energy: -59.696
tors. eta vs tors. theta energy: -16.528
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: 7
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -721.722357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.722357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.722357 (E_RNA)
where:
Base-Base interactions energy: -271.417
where: short stacking energy: -196.915
Base-Backbone interact. energy: -2.832
local terms energy: -447.473838
where:
bonds (distance) C4'-P energy: -122.679
bonds (distance) P-C4' energy: -155.870
flat angles C4'-P-C4' energy: -110.615
flat angles P-C4'-P energy: -59.722
tors. eta vs tors. theta energy: 1.412
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: 1
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -560.356276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.356276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.356276 (E_RNA)
where:
Base-Base interactions energy: -199.102
where: short stacking energy: -157.394
Base-Backbone interact. energy: 2.400
local terms energy: -363.654109
where:
bonds (distance) C4'-P energy: -112.969
bonds (distance) P-C4' energy: -115.975
flat angles C4'-P-C4' energy: -89.438
flat angles P-C4'-P energy: -70.293
tors. eta vs tors. theta energy: 25.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -2369.446917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.446917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.446917 (E_RNA)
where:
Base-Base interactions energy: -1567.995
where: short stacking energy: -704.923
Base-Backbone interact. energy: -1.673
local terms energy: -799.778339
where:
bonds (distance) C4'-P energy: -148.097
bonds (distance) P-C4' energy: -152.177
flat angles C4'-P-C4' energy: -170.973
flat angles P-C4'-P energy: -118.086
tors. eta vs tors. theta energy: -210.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -2317.128101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.128101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.128101 (E_RNA)
where:
Base-Base interactions energy: -1599.852
where: short stacking energy: -646.790
Base-Backbone interact. energy: -4.139
local terms energy: -713.137243
where:
bonds (distance) C4'-P energy: -146.430
bonds (distance) P-C4' energy: -144.370
flat angles C4'-P-C4' energy: -154.056
flat angles P-C4'-P energy: -98.907
tors. eta vs tors. theta energy: -169.375
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: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -2141.396616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.396616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.396616 (E_RNA)
where:
Base-Base interactions energy: -1424.555
where: short stacking energy: -574.499
Base-Backbone interact. energy: -1.409
local terms energy: -715.432779
where:
bonds (distance) C4'-P energy: -138.992
bonds (distance) P-C4' energy: -152.849
flat angles C4'-P-C4' energy: -157.197
flat angles P-C4'-P energy: -101.788
tors. eta vs tors. theta energy: -164.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1965.049588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.049588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.049588 (E_RNA)
where:
Base-Base interactions energy: -1285.417
where: short stacking energy: -546.538
Base-Backbone interact. energy: -3.323
local terms energy: -676.310177
where:
bonds (distance) C4'-P energy: -138.149
bonds (distance) P-C4' energy: -143.094
flat angles C4'-P-C4' energy: -155.330
flat angles P-C4'-P energy: -98.965
tors. eta vs tors. theta energy: -140.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1956.675452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.675452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.675452 (E_RNA)
where:
Base-Base interactions energy: -1286.142
where: short stacking energy: -556.972
Base-Backbone interact. energy: -2.415
local terms energy: -668.117711
where:
bonds (distance) C4'-P energy: -143.682
bonds (distance) P-C4' energy: -144.566
flat angles C4'-P-C4' energy: -145.040
flat angles P-C4'-P energy: -92.500
tors. eta vs tors. theta energy: -142.330
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: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1681.712141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.712141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.712141 (E_RNA)
where:
Base-Base interactions energy: -1061.975
where: short stacking energy: -457.008
Base-Backbone interact. energy: -4.521
local terms energy: -615.216705
where:
bonds (distance) C4'-P energy: -147.201
bonds (distance) P-C4' energy: -122.365
flat angles C4'-P-C4' energy: -135.602
flat angles P-C4'-P energy: -100.200
tors. eta vs tors. theta energy: -109.848
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: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1074.669010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.669010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.669010 (E_RNA)
where:
Base-Base interactions energy: -578.564
where: short stacking energy: -295.170
Base-Backbone interact. energy: -3.432
local terms energy: -492.673496
where:
bonds (distance) C4'-P energy: -122.840
bonds (distance) P-C4' energy: -127.908
flat angles C4'-P-C4' energy: -134.451
flat angles P-C4'-P energy: -81.581
tors. eta vs tors. theta energy: -25.892
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: 7
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -869.625470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.625470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.625470 (E_RNA)
where:
Base-Base interactions energy: -457.758
where: short stacking energy: -255.747
Base-Backbone interact. energy: 0.871
local terms energy: -412.738479
where:
bonds (distance) C4'-P energy: -114.949
bonds (distance) P-C4' energy: -121.381
flat angles C4'-P-C4' energy: -113.112
flat angles P-C4'-P energy: -64.526
tors. eta vs tors. theta energy: 1.230
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: 53
Temperature: 1.300000
Total energy: -699.567039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.567039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.567039 (E_RNA)
where:
Base-Base interactions energy: -310.614
where: short stacking energy: -197.703
Base-Backbone interact. energy: 0.821
local terms energy: -389.773624
where:
bonds (distance) C4'-P energy: -117.795
bonds (distance) P-C4' energy: -125.056
flat angles C4'-P-C4' energy: -92.747
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: 1.892
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: 1
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -547.148018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.148018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.148018 (E_RNA)
where:
Base-Base interactions energy: -181.106
where: short stacking energy: -134.838
Base-Backbone interact. energy: 0.669
local terms energy: -366.711379
where:
bonds (distance) C4'-P energy: -119.738
bonds (distance) P-C4' energy: -124.492
flat angles C4'-P-C4' energy: -101.351
flat angles P-C4'-P energy: -58.696
tors. eta vs tors. theta energy: 37.565
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: 4
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -2369.671366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.671366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.671366 (E_RNA)
where:
Base-Base interactions energy: -1559.766
where: short stacking energy: -713.940
Base-Backbone interact. energy: -2.021
local terms energy: -807.884312
where:
bonds (distance) C4'-P energy: -151.285
bonds (distance) P-C4' energy: -162.614
flat angles C4'-P-C4' energy: -175.399
flat angles P-C4'-P energy: -117.425
tors. eta vs tors. theta energy: -201.162
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: 5
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -2363.586614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.586614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.586614 (E_RNA)
where:
Base-Base interactions energy: -1614.685
where: short stacking energy: -621.657
Base-Backbone interact. energy: -2.185
local terms energy: -746.717032
where:
bonds (distance) C4'-P energy: -140.095
bonds (distance) P-C4' energy: -155.921
flat angles C4'-P-C4' energy: -177.731
flat angles P-C4'-P energy: -99.292
tors. eta vs tors. theta energy: -173.678
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: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -2123.110189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.110189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.110189 (E_RNA)
where:
Base-Base interactions energy: -1445.535
where: short stacking energy: -575.887
Base-Backbone interact. energy: -0.035
local terms energy: -677.540337
where:
bonds (distance) C4'-P energy: -141.831
bonds (distance) P-C4' energy: -140.550
flat angles C4'-P-C4' energy: -152.368
flat angles P-C4'-P energy: -97.020
tors. eta vs tors. theta energy: -145.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -2020.116784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.116784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.116784 (E_RNA)
where:
Base-Base interactions energy: -1367.492
where: short stacking energy: -590.683
Base-Backbone interact. energy: -1.503
local terms energy: -651.121859
where:
bonds (distance) C4'-P energy: -119.314
bonds (distance) P-C4' energy: -133.251
flat angles C4'-P-C4' energy: -136.474
flat angles P-C4'-P energy: -114.709
tors. eta vs tors. theta energy: -147.374
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: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1865.333880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.333880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.333880 (E_RNA)
where:
Base-Base interactions energy: -1230.135
where: short stacking energy: -552.137
Base-Backbone interact. energy: -3.133
local terms energy: -632.066178
where:
bonds (distance) C4'-P energy: -127.821
bonds (distance) P-C4' energy: -140.629
flat angles C4'-P-C4' energy: -134.558
flat angles P-C4'-P energy: -86.467
tors. eta vs tors. theta energy: -142.591
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: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1614.787228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.787228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.787228 (E_RNA)
where:
Base-Base interactions energy: -1029.841
where: short stacking energy: -464.474
Base-Backbone interact. energy: -0.931
local terms energy: -584.015802
where:
bonds (distance) C4'-P energy: -124.512
bonds (distance) P-C4' energy: -140.473
flat angles C4'-P-C4' energy: -138.237
flat angles P-C4'-P energy: -80.767
tors. eta vs tors. theta energy: -100.027
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: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1170.642603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.642603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.642603 (E_RNA)
where:
Base-Base interactions energy: -656.231
where: short stacking energy: -335.139
Base-Backbone interact. energy: -2.118
local terms energy: -512.293978
where:
bonds (distance) C4'-P energy: -120.654
bonds (distance) P-C4' energy: -140.221
flat angles C4'-P-C4' energy: -128.073
flat angles P-C4'-P energy: -66.326
tors. eta vs tors. theta energy: -57.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -789.703185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.703185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.703185 (E_RNA)
where:
Base-Base interactions energy: -377.815
where: short stacking energy: -215.269
Base-Backbone interact. energy: -2.611
local terms energy: -409.277302
where:
bonds (distance) C4'-P energy: -114.425
bonds (distance) P-C4' energy: -145.779
flat angles C4'-P-C4' energy: -91.003
flat angles P-C4'-P energy: -47.325
tors. eta vs tors. theta energy: -10.745
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: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -701.745519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.745519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.745519 (E_RNA)
where:
Base-Base interactions energy: -305.155
where: short stacking energy: -192.140
Base-Backbone interact. energy: 5.764
local terms energy: -402.355262
where:
bonds (distance) C4'-P energy: -124.671
bonds (distance) P-C4' energy: -118.872
flat angles C4'-P-C4' energy: -108.369
flat angles P-C4'-P energy: -66.273
tors. eta vs tors. theta energy: 15.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -558.775669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.775669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.775669 (E_RNA)
where:
Base-Base interactions energy: -187.089
where: short stacking energy: -130.578
Base-Backbone interact. energy: 2.671
local terms energy: -374.357552
where:
bonds (distance) C4'-P energy: -128.126
bonds (distance) P-C4' energy: -135.967
flat angles C4'-P-C4' energy: -99.070
flat angles P-C4'-P energy: -51.437
tors. eta vs tors. theta energy: 40.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -2389.037250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2389.037250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2389.037250 (E_RNA)
where:
Base-Base interactions energy: -1589.289
where: short stacking energy: -730.503
Base-Backbone interact. energy: -4.696
local terms energy: -795.051816
where:
bonds (distance) C4'-P energy: -144.996
bonds (distance) P-C4' energy: -145.716
flat angles C4'-P-C4' energy: -171.456
flat angles P-C4'-P energy: -110.959
tors. eta vs tors. theta energy: -221.925
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: 5
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -2303.003379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.003379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.003379 (E_RNA)
where:
Base-Base interactions energy: -1570.934
where: short stacking energy: -636.571
Base-Backbone interact. energy: -0.774
local terms energy: -731.296372
where:
bonds (distance) C4'-P energy: -147.048
bonds (distance) P-C4' energy: -151.210
flat angles C4'-P-C4' energy: -154.540
flat angles P-C4'-P energy: -109.874
tors. eta vs tors. theta energy: -168.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -2126.482789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.482789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.482789 (E_RNA)
where:
Base-Base interactions energy: -1463.963
where: short stacking energy: -594.488
Base-Backbone interact. energy: -4.245
local terms energy: -658.274817
where:
bonds (distance) C4'-P energy: -118.334
bonds (distance) P-C4' energy: -132.293
flat angles C4'-P-C4' energy: -147.529
flat angles P-C4'-P energy: -107.131
tors. eta vs tors. theta energy: -152.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -2034.102520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.102520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.102520 (E_RNA)
where:
Base-Base interactions energy: -1362.901
where: short stacking energy: -559.190
Base-Backbone interact. energy: -2.507
local terms energy: -668.694670
where:
bonds (distance) C4'-P energy: -136.462
bonds (distance) P-C4' energy: -134.622
flat angles C4'-P-C4' energy: -157.611
flat angles P-C4'-P energy: -90.060
tors. eta vs tors. theta energy: -149.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1892.142454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.142454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.142454 (E_RNA)
where:
Base-Base interactions energy: -1234.766
where: short stacking energy: -555.111
Base-Backbone interact. energy: 0.155
local terms energy: -657.530776
where:
bonds (distance) C4'-P energy: -127.821
bonds (distance) P-C4' energy: -127.223
flat angles C4'-P-C4' energy: -159.468
flat angles P-C4'-P energy: -96.470
tors. eta vs tors. theta energy: -146.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1577.319824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.319824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.319824 (E_RNA)
where:
Base-Base interactions energy: -983.173
where: short stacking energy: -456.815
Base-Backbone interact. energy: -0.679
local terms energy: -593.467001
where:
bonds (distance) C4'-P energy: -139.952
bonds (distance) P-C4' energy: -125.402
flat angles C4'-P-C4' energy: -153.118
flat angles P-C4'-P energy: -81.058
tors. eta vs tors. theta energy: -93.937
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: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1160.551863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.551863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.551863 (E_RNA)
where:
Base-Base interactions energy: -660.192
where: short stacking energy: -358.755
Base-Backbone interact. energy: 4.982
local terms energy: -505.342517
where:
bonds (distance) C4'-P energy: -119.277
bonds (distance) P-C4' energy: -142.476
flat angles C4'-P-C4' energy: -127.114
flat angles P-C4'-P energy: -52.443
tors. eta vs tors. theta energy: -64.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -834.405949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.405949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.405949 (E_RNA)
where:
Base-Base interactions energy: -419.046
where: short stacking energy: -222.653
Base-Backbone interact. energy: 15.367
local terms energy: -430.726594
where:
bonds (distance) C4'-P energy: -117.230
bonds (distance) P-C4' energy: -136.678
flat angles C4'-P-C4' energy: -111.386
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: 7.332
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: 55
Temperature: 1.300000
Total energy: -659.068032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.068032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.068032 (E_RNA)
where:
Base-Base interactions energy: -246.644
where: short stacking energy: -180.135
Base-Backbone interact. energy: -0.485
local terms energy: -411.939263
where:
bonds (distance) C4'-P energy: -129.251
bonds (distance) P-C4' energy: -115.446
flat angles C4'-P-C4' energy: -91.528
flat angles P-C4'-P energy: -70.964
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -555.293428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.293428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.293428 (E_RNA)
where:
Base-Base interactions energy: -178.952
where: short stacking energy: -148.404
Base-Backbone interact. energy: 1.623
local terms energy: -377.964736
where:
bonds (distance) C4'-P energy: -129.721
bonds (distance) P-C4' energy: -121.424
flat angles C4'-P-C4' energy: -100.763
flat angles P-C4'-P energy: -68.480
tors. eta vs tors. theta energy: 42.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -2395.267140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.267140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.267140 (E_RNA)
where:
Base-Base interactions energy: -1610.520
where: short stacking energy: -749.334
Base-Backbone interact. energy: -1.599
local terms energy: -783.148363
where:
bonds (distance) C4'-P energy: -147.122
bonds (distance) P-C4' energy: -153.721
flat angles C4'-P-C4' energy: -170.654
flat angles P-C4'-P energy: -105.875
tors. eta vs tors. theta energy: -205.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -2316.090700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.090700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.090700 (E_RNA)
where:
Base-Base interactions energy: -1573.761
where: short stacking energy: -617.992
Base-Backbone interact. energy: -4.582
local terms energy: -737.747399
where:
bonds (distance) C4'-P energy: -140.620
bonds (distance) P-C4' energy: -147.769
flat angles C4'-P-C4' energy: -164.567
flat angles P-C4'-P energy: -110.767
tors. eta vs tors. theta energy: -174.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -2132.159726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.159726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.159726 (E_RNA)
where:
Base-Base interactions energy: -1443.518
where: short stacking energy: -587.830
Base-Backbone interact. energy: -6.752
local terms energy: -681.888855
where:
bonds (distance) C4'-P energy: -149.247
bonds (distance) P-C4' energy: -147.152
flat angles C4'-P-C4' energy: -144.597
flat angles P-C4'-P energy: -90.278
tors. eta vs tors. theta energy: -150.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -2065.678418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.678418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.678418 (E_RNA)
where:
Base-Base interactions energy: -1376.223
where: short stacking energy: -618.844
Base-Backbone interact. energy: -3.243
local terms energy: -686.212648
where:
bonds (distance) C4'-P energy: -127.654
bonds (distance) P-C4' energy: -132.864
flat angles C4'-P-C4' energy: -145.924
flat angles P-C4'-P energy: -106.846
tors. eta vs tors. theta energy: -172.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1910.988755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.988755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.988755 (E_RNA)
where:
Base-Base interactions energy: -1240.549
where: short stacking energy: -538.749
Base-Backbone interact. energy: 3.645
local terms energy: -674.085150
where:
bonds (distance) C4'-P energy: -142.825
bonds (distance) P-C4' energy: -122.808
flat angles C4'-P-C4' energy: -154.574
flat angles P-C4'-P energy: -101.647
tors. eta vs tors. theta energy: -152.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1582.841596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.841596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.841596 (E_RNA)
where:
Base-Base interactions energy: -1009.792
where: short stacking energy: -473.107
Base-Backbone interact. energy: 3.249
local terms energy: -576.299122
where:
bonds (distance) C4'-P energy: -122.722
bonds (distance) P-C4' energy: -131.223
flat angles C4'-P-C4' energy: -143.756
flat angles P-C4'-P energy: -77.201
tors. eta vs tors. theta energy: -101.398
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: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1127.946242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.946242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.946242 (E_RNA)
where:
Base-Base interactions energy: -589.999
where: short stacking energy: -319.771
Base-Backbone interact. energy: -0.217
local terms energy: -537.729971
where:
bonds (distance) C4'-P energy: -126.724
bonds (distance) P-C4' energy: -140.231
flat angles C4'-P-C4' energy: -138.886
flat angles P-C4'-P energy: -88.171
tors. eta vs tors. theta energy: -43.718
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: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -763.543324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.543324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.543324 (E_RNA)
where:
Base-Base interactions energy: -345.360
where: short stacking energy: -211.849
Base-Backbone interact. energy: -0.725
local terms energy: -417.458332
where:
bonds (distance) C4'-P energy: -97.366
bonds (distance) P-C4' energy: -112.941
flat angles C4'-P-C4' energy: -138.965
flat angles P-C4'-P energy: -75.162
tors. eta vs tors. theta energy: 6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -649.396740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.396740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.396740 (E_RNA)
where:
Base-Base interactions energy: -237.530
where: short stacking energy: -159.478
Base-Backbone interact. energy: 0.091
local terms energy: -411.957227
where:
bonds (distance) C4'-P energy: -119.272
bonds (distance) P-C4' energy: -130.885
flat angles C4'-P-C4' energy: -118.936
flat angles P-C4'-P energy: -59.933
tors. eta vs tors. theta energy: 17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -625.749833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.749833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.749833 (E_RNA)
where:
Base-Base interactions energy: -265.904
where: short stacking energy: -162.735
Base-Backbone interact. energy: -0.282
local terms energy: -359.563564
where:
bonds (distance) C4'-P energy: -111.912
bonds (distance) P-C4' energy: -131.866
flat angles C4'-P-C4' energy: -96.989
flat angles P-C4'-P energy: -44.364
tors. eta vs tors. theta energy: 25.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -2408.414859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.414859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.414859 (E_RNA)
where:
Base-Base interactions energy: -1604.044
where: short stacking energy: -708.899
Base-Backbone interact. energy: -3.658
local terms energy: -800.713243
where:
bonds (distance) C4'-P energy: -149.373
bonds (distance) P-C4' energy: -146.158
flat angles C4'-P-C4' energy: -174.934
flat angles P-C4'-P energy: -113.431
tors. eta vs tors. theta energy: -216.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -2300.209337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.209337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.209337 (E_RNA)
where:
Base-Base interactions energy: -1592.902
where: short stacking energy: -622.792
Base-Backbone interact. energy: 6.263
local terms energy: -713.570062
where:
bonds (distance) C4'-P energy: -137.197
bonds (distance) P-C4' energy: -165.610
flat angles C4'-P-C4' energy: -164.540
flat angles P-C4'-P energy: -78.682
tors. eta vs tors. theta energy: -167.542
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: 3, replica: 3
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -2117.561693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.561693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.561693 (E_RNA)
where:
Base-Base interactions energy: -1428.945
where: short stacking energy: -587.246
Base-Backbone interact. energy: -0.157
local terms energy: -688.459821
where:
bonds (distance) C4'-P energy: -119.183
bonds (distance) P-C4' energy: -158.965
flat angles C4'-P-C4' energy: -153.444
flat angles P-C4'-P energy: -103.185
tors. eta vs tors. theta energy: -153.684
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: 9
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -2139.186256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.186256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.186256 (E_RNA)
where:
Base-Base interactions energy: -1416.598
where: short stacking energy: -618.790
Base-Backbone interact. energy: -3.551
local terms energy: -719.036901
where:
bonds (distance) C4'-P energy: -124.612
bonds (distance) P-C4' energy: -142.918
flat angles C4'-P-C4' energy: -157.406
flat angles P-C4'-P energy: -110.570
tors. eta vs tors. theta energy: -183.531
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: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1918.160931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.160931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.160931 (E_RNA)
where:
Base-Base interactions energy: -1236.949
where: short stacking energy: -549.263
Base-Backbone interact. energy: -1.043
local terms energy: -680.168972
where:
bonds (distance) C4'-P energy: -126.506
bonds (distance) P-C4' energy: -143.295
flat angles C4'-P-C4' energy: -153.321
flat angles P-C4'-P energy: -101.007
tors. eta vs tors. theta energy: -156.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1565.020358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.020358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.020358 (E_RNA)
where:
Base-Base interactions energy: -1006.416
where: short stacking energy: -432.814
Base-Backbone interact. energy: 2.846
local terms energy: -561.450109
where:
bonds (distance) C4'-P energy: -122.475
bonds (distance) P-C4' energy: -134.275
flat angles C4'-P-C4' energy: -130.818
flat angles P-C4'-P energy: -76.953
tors. eta vs tors. theta energy: -96.929
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: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1152.996123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.996123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.996123 (E_RNA)
where:
Base-Base interactions energy: -648.349
where: short stacking energy: -337.998
Base-Backbone interact. energy: -0.198
local terms energy: -504.449471
where:
bonds (distance) C4'-P energy: -103.426
bonds (distance) P-C4' energy: -152.605
flat angles C4'-P-C4' energy: -128.951
flat angles P-C4'-P energy: -67.409
tors. eta vs tors. theta energy: -52.059
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: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -630.794727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.794727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.794727 (E_RNA)
where:
Base-Base interactions energy: -225.974
where: short stacking energy: -154.644
Base-Backbone interact. energy: -2.624
local terms energy: -402.197000
where:
bonds (distance) C4'-P energy: -130.072
bonds (distance) P-C4' energy: -132.096
flat angles C4'-P-C4' energy: -113.996
flat angles P-C4'-P energy: -59.551
tors. eta vs tors. theta energy: 33.518
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: 9, replica: 7
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -666.667867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.667867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.667867 (E_RNA)
where:
Base-Base interactions energy: -301.004
where: short stacking energy: -175.966
Base-Backbone interact. energy: -0.539
local terms energy: -365.125570
where:
bonds (distance) C4'-P energy: -128.058
bonds (distance) P-C4' energy: -130.943
flat angles C4'-P-C4' energy: -90.377
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: 30.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -552.998672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.998672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.998672 (E_RNA)
where:
Base-Base interactions energy: -163.595
where: short stacking energy: -140.242
Base-Backbone interact. energy: 0.229
local terms energy: -389.632862
where:
bonds (distance) C4'-P energy: -138.253
bonds (distance) P-C4' energy: -139.547
flat angles C4'-P-C4' energy: -108.645
flat angles P-C4'-P energy: -54.308
tors. eta vs tors. theta energy: 51.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -2422.496167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2422.496167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2422.496167 (E_RNA)
where:
Base-Base interactions energy: -1622.396
where: short stacking energy: -729.109
Base-Backbone interact. energy: -2.618
local terms energy: -797.481974
where:
bonds (distance) C4'-P energy: -131.133
bonds (distance) P-C4' energy: -154.775
flat angles C4'-P-C4' energy: -181.872
flat angles P-C4'-P energy: -111.368
tors. eta vs tors. theta energy: -218.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -2292.600838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.600838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.600838 (E_RNA)
where:
Base-Base interactions energy: -1565.918
where: short stacking energy: -613.485
Base-Backbone interact. energy: 1.450
local terms energy: -728.132341
where:
bonds (distance) C4'-P energy: -142.019
bonds (distance) P-C4' energy: -151.167
flat angles C4'-P-C4' energy: -168.382
flat angles P-C4'-P energy: -96.603
tors. eta vs tors. theta energy: -169.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -2139.700243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.700243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.700243 (E_RNA)
where:
Base-Base interactions energy: -1446.411
where: short stacking energy: -589.708
Base-Backbone interact. energy: -3.655
local terms energy: -689.634416
where:
bonds (distance) C4'-P energy: -141.605
bonds (distance) P-C4' energy: -156.669
flat angles C4'-P-C4' energy: -145.094
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: -167.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -2106.684656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.684656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.684656 (E_RNA)
where:
Base-Base interactions energy: -1400.938
where: short stacking energy: -607.459
Base-Backbone interact. energy: 4.265
local terms energy: -710.011492
where:
bonds (distance) C4'-P energy: -141.097
bonds (distance) P-C4' energy: -139.286
flat angles C4'-P-C4' energy: -160.075
flat angles P-C4'-P energy: -105.658
tors. eta vs tors. theta energy: -163.895
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: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1958.828558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.828558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.828558 (E_RNA)
where:
Base-Base interactions energy: -1301.527
where: short stacking energy: -555.087
Base-Backbone interact. energy: -3.038
local terms energy: -654.262788
where:
bonds (distance) C4'-P energy: -131.188
bonds (distance) P-C4' energy: -154.081
flat angles C4'-P-C4' energy: -142.122
flat angles P-C4'-P energy: -90.810
tors. eta vs tors. theta energy: -136.062
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: 10
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1562.760746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.760746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.760746 (E_RNA)
where:
Base-Base interactions energy: -989.788
where: short stacking energy: -453.643
Base-Backbone interact. energy: -1.818
local terms energy: -571.155345
where:
bonds (distance) C4'-P energy: -123.203
bonds (distance) P-C4' energy: -134.860
flat angles C4'-P-C4' energy: -129.399
flat angles P-C4'-P energy: -82.697
tors. eta vs tors. theta energy: -100.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1150.663181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.663181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.663181 (E_RNA)
where:
Base-Base interactions energy: -611.620
where: short stacking energy: -333.206
Base-Backbone interact. energy: -0.327
local terms energy: -538.716392
where:
bonds (distance) C4'-P energy: -124.994
bonds (distance) P-C4' energy: -147.959
flat angles C4'-P-C4' energy: -133.365
flat angles P-C4'-P energy: -63.638
tors. eta vs tors. theta energy: -68.761
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: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -661.989095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.989095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.989095 (E_RNA)
where:
Base-Base interactions energy: -238.772
where: short stacking energy: -204.080
Base-Backbone interact. energy: 3.632
local terms energy: -426.849445
where:
bonds (distance) C4'-P energy: -130.156
bonds (distance) P-C4' energy: -128.211
flat angles C4'-P-C4' energy: -108.842
flat angles P-C4'-P energy: -62.612
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: 9, replica: 7
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -676.810816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.810816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.810816 (E_RNA)
where:
Base-Base interactions energy: -256.579
where: short stacking energy: -165.740
Base-Backbone interact. energy: 0.085
local terms energy: -420.317214
where:
bonds (distance) C4'-P energy: -132.116
bonds (distance) P-C4' energy: -124.799
flat angles C4'-P-C4' energy: -119.486
flat angles P-C4'-P energy: -71.918
tors. eta vs tors. theta energy: 28.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -559.479940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.479940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.479940 (E_RNA)
where:
Base-Base interactions energy: -163.394
where: short stacking energy: -130.119
Base-Backbone interact. energy: 2.003
local terms energy: -398.088189
where:
bonds (distance) C4'-P energy: -134.915
bonds (distance) P-C4' energy: -113.028
flat angles C4'-P-C4' energy: -116.798
flat angles P-C4'-P energy: -63.921
tors. eta vs tors. theta energy: 30.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -2380.416423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.416423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.416423 (E_RNA)
where:
Base-Base interactions energy: -1592.893
where: short stacking energy: -713.328
Base-Backbone interact. energy: -2.923
local terms energy: -784.600009
where:
bonds (distance) C4'-P energy: -145.057
bonds (distance) P-C4' energy: -148.223
flat angles C4'-P-C4' energy: -176.999
flat angles P-C4'-P energy: -104.882
tors. eta vs tors. theta energy: -209.439
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: 5
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -2295.916155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.916155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.916155 (E_RNA)
where:
Base-Base interactions energy: -1552.111
where: short stacking energy: -626.440
Base-Backbone interact. energy: -5.609
local terms energy: -738.195617
where:
bonds (distance) C4'-P energy: -146.638
bonds (distance) P-C4' energy: -140.248
flat angles C4'-P-C4' energy: -168.523
flat angles P-C4'-P energy: -102.271
tors. eta vs tors. theta energy: -180.516
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: 3
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -2143.254773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.254773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.254773 (E_RNA)
where:
Base-Base interactions energy: -1423.779
where: short stacking energy: -589.396
Base-Backbone interact. energy: -1.849
local terms energy: -717.626914
where:
bonds (distance) C4'-P energy: -140.752
bonds (distance) P-C4' energy: -161.183
flat angles C4'-P-C4' energy: -154.587
flat angles P-C4'-P energy: -99.743
tors. eta vs tors. theta energy: -161.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -2160.771642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.771642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.771642 (E_RNA)
where:
Base-Base interactions energy: -1454.650
where: short stacking energy: -609.466
Base-Backbone interact. energy: -5.209
local terms energy: -700.913206
where:
bonds (distance) C4'-P energy: -121.795
bonds (distance) P-C4' energy: -142.310
flat angles C4'-P-C4' energy: -157.933
flat angles P-C4'-P energy: -102.566
tors. eta vs tors. theta energy: -176.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1944.259474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.259474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.259474 (E_RNA)
where:
Base-Base interactions energy: -1275.855
where: short stacking energy: -562.734
Base-Backbone interact. energy: -0.335
local terms energy: -668.069637
where:
bonds (distance) C4'-P energy: -133.079
bonds (distance) P-C4' energy: -138.634
flat angles C4'-P-C4' energy: -160.030
flat angles P-C4'-P energy: -90.564
tors. eta vs tors. theta energy: -145.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1575.188795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.188795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.188795 (E_RNA)
where:
Base-Base interactions energy: -977.254
where: short stacking energy: -455.797
Base-Backbone interact. energy: 4.004
local terms energy: -601.939039
where:
bonds (distance) C4'-P energy: -122.168
bonds (distance) P-C4' energy: -137.343
flat angles C4'-P-C4' energy: -156.321
flat angles P-C4'-P energy: -82.615
tors. eta vs tors. theta energy: -103.492
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: 8
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1185.241058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.241058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.241058 (E_RNA)
where:
Base-Base interactions energy: -683.872
where: short stacking energy: -328.053
Base-Backbone interact. energy: -0.934
local terms energy: -500.435364
where:
bonds (distance) C4'-P energy: -124.977
bonds (distance) P-C4' energy: -129.732
flat angles C4'-P-C4' energy: -124.934
flat angles P-C4'-P energy: -68.710
tors. eta vs tors. theta energy: -52.083
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: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -795.027988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.027988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.027988 (E_RNA)
where:
Base-Base interactions energy: -350.422
where: short stacking energy: -192.559
Base-Backbone interact. energy: -2.005
local terms energy: -442.600830
where:
bonds (distance) C4'-P energy: -149.615
bonds (distance) P-C4' energy: -137.852
flat angles C4'-P-C4' energy: -100.548
flat angles P-C4'-P energy: -63.171
tors. eta vs tors. theta energy: 8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -638.129227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.129227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.129227 (E_RNA)
where:
Base-Base interactions energy: -234.430
where: short stacking energy: -168.273
Base-Backbone interact. energy: -5.093
local terms energy: -398.606333
where:
bonds (distance) C4'-P energy: -123.951
bonds (distance) P-C4' energy: -121.530
flat angles C4'-P-C4' energy: -114.398
flat angles P-C4'-P energy: -68.236
tors. eta vs tors. theta energy: 29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -630.020414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.020414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.020414 (E_RNA)
where:
Base-Base interactions energy: -256.174
where: short stacking energy: -175.356
Base-Backbone interact. energy: 0.458
local terms energy: -374.304525
where:
bonds (distance) C4'-P energy: -112.653
bonds (distance) P-C4' energy: -138.316
flat angles C4'-P-C4' energy: -78.303
flat angles P-C4'-P energy: -63.244
tors. eta vs tors. theta energy: 18.212
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: 4
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -2406.144761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.144761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.144761 (E_RNA)
where:
Base-Base interactions energy: -1589.870
where: short stacking energy: -721.913
Base-Backbone interact. energy: -1.307
local terms energy: -814.967041
where:
bonds (distance) C4'-P energy: -145.187
bonds (distance) P-C4' energy: -147.170
flat angles C4'-P-C4' energy: -174.577
flat angles P-C4'-P energy: -130.088
tors. eta vs tors. theta energy: -217.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -2318.412232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2318.412232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2318.412232 (E_RNA)
where:
Base-Base interactions energy: -1597.169
where: short stacking energy: -665.138
Base-Backbone interact. energy: -5.521
local terms energy: -715.722019
where:
bonds (distance) C4'-P energy: -132.427
bonds (distance) P-C4' energy: -139.176
flat angles C4'-P-C4' energy: -172.502
flat angles P-C4'-P energy: -106.914
tors. eta vs tors. theta energy: -164.703
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: 60
Temperature: 1.000000
Total energy: -2203.370359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.370359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.370359 (E_RNA)
where:
Base-Base interactions energy: -1465.680
where: short stacking energy: -640.649
Base-Backbone interact. energy: -3.360
local terms energy: -734.330556
where:
bonds (distance) C4'-P energy: -153.239
bonds (distance) P-C4' energy: -145.901
flat angles C4'-P-C4' energy: -157.651
flat angles P-C4'-P energy: -98.073
tors. eta vs tors. theta energy: -179.467
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -2033.012160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.012160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.012160 (E_RNA)
where:
Base-Base interactions energy: -1374.714
where: short stacking energy: -574.285
Base-Backbone interact. energy: -6.409
local terms energy: -651.888830
where:
bonds (distance) C4'-P energy: -119.941
bonds (distance) P-C4' energy: -121.287
flat angles C4'-P-C4' energy: -152.748
flat angles P-C4'-P energy: -105.536
tors. eta vs tors. theta energy: -152.376
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: 60
Temperature: 1.100000
Total energy: -1941.177462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.177462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.177462 (E_RNA)
where:
Base-Base interactions energy: -1262.855
where: short stacking energy: -545.512
Base-Backbone interact. energy: -4.735
local terms energy: -673.587635
where:
bonds (distance) C4'-P energy: -134.759
bonds (distance) P-C4' energy: -124.043
flat angles C4'-P-C4' energy: -154.045
flat angles P-C4'-P energy: -107.319
tors. eta vs tors. theta energy: -153.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1528.237071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.237071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.237071 (E_RNA)
where:
Base-Base interactions energy: -955.659
where: short stacking energy: -429.670
Base-Backbone interact. energy: -0.529
local terms energy: -572.048365
where:
bonds (distance) C4'-P energy: -117.735
bonds (distance) P-C4' energy: -128.299
flat angles C4'-P-C4' energy: -134.035
flat angles P-C4'-P energy: -85.574
tors. eta vs tors. theta energy: -106.406
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: 8
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1144.016530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.016530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.016530 (E_RNA)
where:
Base-Base interactions energy: -630.720
where: short stacking energy: -315.810
Base-Backbone interact. energy: 2.577
local terms energy: -515.873312
where:
bonds (distance) C4'-P energy: -132.916
bonds (distance) P-C4' energy: -129.960
flat angles C4'-P-C4' energy: -134.958
flat angles P-C4'-P energy: -86.482
tors. eta vs tors. theta energy: -31.557
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: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -982.184970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.184970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.184970 (E_RNA)
where:
Base-Base interactions energy: -478.848
where: short stacking energy: -289.600
Base-Backbone interact. energy: -2.450
local terms energy: -500.886338
where:
bonds (distance) C4'-P energy: -108.387
bonds (distance) P-C4' energy: -151.920
flat angles C4'-P-C4' energy: -131.208
flat angles P-C4'-P energy: -70.574
tors. eta vs tors. theta energy: -38.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -621.628868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.628868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.628868 (E_RNA)
where:
Base-Base interactions energy: -230.720
where: short stacking energy: -190.020
Base-Backbone interact. energy: 1.616
local terms energy: -392.524565
where:
bonds (distance) C4'-P energy: -124.446
bonds (distance) P-C4' energy: -132.281
flat angles C4'-P-C4' energy: -95.891
flat angles P-C4'-P energy: -60.074
tors. eta vs tors. theta energy: 20.167
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: 60
Temperature: 1.350000
Total energy: -615.619906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.619906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.619906 (E_RNA)
where:
Base-Base interactions energy: -246.038
where: short stacking energy: -154.260
Base-Backbone interact. energy: -2.546
local terms energy: -367.035903
where:
bonds (distance) C4'-P energy: -108.385
bonds (distance) P-C4' energy: -119.495
flat angles C4'-P-C4' energy: -102.500
flat angles P-C4'-P energy: -59.344
tors. eta vs tors. theta energy: 22.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -2407.264136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.264136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.264136 (E_RNA)
where:
Base-Base interactions energy: -1620.934
where: short stacking energy: -734.799
Base-Backbone interact. energy: -1.566
local terms energy: -784.764295
where:
bonds (distance) C4'-P energy: -144.250
bonds (distance) P-C4' energy: -155.137
flat angles C4'-P-C4' energy: -162.280
flat angles P-C4'-P energy: -119.100
tors. eta vs tors. theta energy: -203.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -2309.934011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.934011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.934011 (E_RNA)
where:
Base-Base interactions energy: -1568.791
where: short stacking energy: -619.270
Base-Backbone interact. energy: -5.586
local terms energy: -735.556871
where:
bonds (distance) C4'-P energy: -148.205
bonds (distance) P-C4' energy: -159.837
flat angles C4'-P-C4' energy: -156.017
flat angles P-C4'-P energy: -107.785
tors. eta vs tors. theta energy: -163.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -2265.173103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.173103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.173103 (E_RNA)
where:
Base-Base interactions energy: -1510.221
where: short stacking energy: -641.806
Base-Backbone interact. energy: -8.267
local terms energy: -746.685855
where:
bonds (distance) C4'-P energy: -140.402
bonds (distance) P-C4' energy: -140.917
flat angles C4'-P-C4' energy: -173.358
flat angles P-C4'-P energy: -100.651
tors. eta vs tors. theta energy: -191.358
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: 61
Temperature: 1.050000
Total energy: -1994.741556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.741556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.741556 (E_RNA)
where:
Base-Base interactions energy: -1316.363
where: short stacking energy: -578.618
Base-Backbone interact. energy: -0.123
local terms energy: -678.255550
where:
bonds (distance) C4'-P energy: -130.180
bonds (distance) P-C4' energy: -147.127
flat angles C4'-P-C4' energy: -144.946
flat angles P-C4'-P energy: -94.288
tors. eta vs tors. theta energy: -161.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1889.702202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.702202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.702202 (E_RNA)
where:
Base-Base interactions energy: -1271.897
where: short stacking energy: -530.649
Base-Backbone interact. energy: 0.746
local terms energy: -618.551486
where:
bonds (distance) C4'-P energy: -121.166
bonds (distance) P-C4' energy: -141.273
flat angles C4'-P-C4' energy: -132.708
flat angles P-C4'-P energy: -91.986
tors. eta vs tors. theta energy: -131.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1565.139219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.139219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.139219 (E_RNA)
where:
Base-Base interactions energy: -992.841
where: short stacking energy: -469.895
Base-Backbone interact. energy: 1.990
local terms energy: -574.288818
where:
bonds (distance) C4'-P energy: -119.815
bonds (distance) P-C4' energy: -124.227
flat angles C4'-P-C4' energy: -146.617
flat angles P-C4'-P energy: -83.668
tors. eta vs tors. theta energy: -99.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1181.263773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.263773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.263773 (E_RNA)
where:
Base-Base interactions energy: -636.049
where: short stacking energy: -310.484
Base-Backbone interact. energy: -1.424
local terms energy: -543.791200
where:
bonds (distance) C4'-P energy: -128.885
bonds (distance) P-C4' energy: -153.113
flat angles C4'-P-C4' energy: -129.281
flat angles P-C4'-P energy: -96.415
tors. eta vs tors. theta energy: -36.097
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: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -960.471467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.471467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.471467 (E_RNA)
where:
Base-Base interactions energy: -517.699
where: short stacking energy: -272.112
Base-Backbone interact. energy: -0.943
local terms energy: -441.829563
where:
bonds (distance) C4'-P energy: -123.643
bonds (distance) P-C4' energy: -134.519
flat angles C4'-P-C4' energy: -107.648
flat angles P-C4'-P energy: -54.168
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: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -657.580808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.580808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.580808 (E_RNA)
where:
Base-Base interactions energy: -287.982
where: short stacking energy: -176.697
Base-Backbone interact. energy: 0.299
local terms energy: -369.896870
where:
bonds (distance) C4'-P energy: -120.096
bonds (distance) P-C4' energy: -110.580
flat angles C4'-P-C4' energy: -99.637
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: 18.479
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: 10, replica: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -591.685807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.685807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.685807 (E_RNA)
where:
Base-Base interactions energy: -219.192
where: short stacking energy: -159.021
Base-Backbone interact. energy: 4.345
local terms energy: -376.839354
where:
bonds (distance) C4'-P energy: -122.575
bonds (distance) P-C4' energy: -137.159
flat angles C4'-P-C4' energy: -93.663
flat angles P-C4'-P energy: -52.774
tors. eta vs tors. theta energy: 29.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -2376.757402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.757402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.757402 (E_RNA)
where:
Base-Base interactions energy: -1583.250
where: short stacking energy: -676.902
Base-Backbone interact. energy: -1.178
local terms energy: -792.329039
where:
bonds (distance) C4'-P energy: -163.900
bonds (distance) P-C4' energy: -147.147
flat angles C4'-P-C4' energy: -162.388
flat angles P-C4'-P energy: -117.159
tors. eta vs tors. theta energy: -201.734
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: 5
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -2306.514298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.514298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.514298 (E_RNA)
where:
Base-Base interactions energy: -1579.535
where: short stacking energy: -627.860
Base-Backbone interact. energy: -2.039
local terms energy: -724.940717
where:
bonds (distance) C4'-P energy: -144.293
bonds (distance) P-C4' energy: -146.920
flat angles C4'-P-C4' energy: -171.854
flat angles P-C4'-P energy: -92.811
tors. eta vs tors. theta energy: -169.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -2224.473392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.473392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.473392 (E_RNA)
where:
Base-Base interactions energy: -1495.895
where: short stacking energy: -621.778
Base-Backbone interact. energy: -2.626
local terms energy: -725.952361
where:
bonds (distance) C4'-P energy: -143.333
bonds (distance) P-C4' energy: -134.491
flat angles C4'-P-C4' energy: -165.036
flat angles P-C4'-P energy: -106.707
tors. eta vs tors. theta energy: -176.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -2051.399885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.399885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.399885 (E_RNA)
where:
Base-Base interactions energy: -1362.013
where: short stacking energy: -592.250
Base-Backbone interact. energy: -2.535
local terms energy: -686.851549
where:
bonds (distance) C4'-P energy: -124.596
bonds (distance) P-C4' energy: -145.612
flat angles C4'-P-C4' energy: -146.465
flat angles P-C4'-P energy: -107.454
tors. eta vs tors. theta energy: -162.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1923.908058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.908058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.908058 (E_RNA)
where:
Base-Base interactions energy: -1254.417
where: short stacking energy: -539.078
Base-Backbone interact. energy: 0.668
local terms energy: -670.158960
where:
bonds (distance) C4'-P energy: -127.265
bonds (distance) P-C4' energy: -124.840
flat angles C4'-P-C4' energy: -175.494
flat angles P-C4'-P energy: -96.365
tors. eta vs tors. theta energy: -146.195
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: 6, replica: 10
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1586.914804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.914804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.914804 (E_RNA)
where:
Base-Base interactions energy: -962.674
where: short stacking energy: -434.848
Base-Backbone interact. energy: 0.606
local terms energy: -624.846889
where:
bonds (distance) C4'-P energy: -126.919
bonds (distance) P-C4' energy: -146.184
flat angles C4'-P-C4' energy: -151.662
flat angles P-C4'-P energy: -90.663
tors. eta vs tors. theta energy: -109.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1198.505300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.505300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.505300 (E_RNA)
where:
Base-Base interactions energy: -685.426
where: short stacking energy: -314.037
Base-Backbone interact. energy: 1.251
local terms energy: -514.329540
where:
bonds (distance) C4'-P energy: -122.776
bonds (distance) P-C4' energy: -129.273
flat angles C4'-P-C4' energy: -126.630
flat angles P-C4'-P energy: -81.252
tors. eta vs tors. theta energy: -54.398
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: 8, replica: 7
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -901.606179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.606179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.606179 (E_RNA)
where:
Base-Base interactions energy: -430.084
where: short stacking energy: -240.436
Base-Backbone interact. energy: 0.580
local terms energy: -472.102544
where:
bonds (distance) C4'-P energy: -139.882
bonds (distance) P-C4' energy: -141.391
flat angles C4'-P-C4' energy: -118.676
flat angles P-C4'-P energy: -74.070
tors. eta vs tors. theta energy: 1.916
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: 9, replica: 1
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -655.573870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.573870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.573870 (E_RNA)
where:
Base-Base interactions energy: -251.442
where: short stacking energy: -206.542
Base-Backbone interact. energy: 1.075
local terms energy: -405.206950
where:
bonds (distance) C4'-P energy: -105.684
bonds (distance) P-C4' energy: -143.932
flat angles C4'-P-C4' energy: -119.341
flat angles P-C4'-P energy: -44.970
tors. eta vs tors. theta energy: 8.720
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: 62
Temperature: 1.350000
Total energy: -656.829445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.829445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.829445 (E_RNA)
where:
Base-Base interactions energy: -263.384
where: short stacking energy: -189.018
Base-Backbone interact. energy: 3.275
local terms energy: -396.720572
where:
bonds (distance) C4'-P energy: -127.449
bonds (distance) P-C4' energy: -131.711
flat angles C4'-P-C4' energy: -96.838
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: 6.533
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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -2413.172502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.172502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.172502 (E_RNA)
where:
Base-Base interactions energy: -1602.155
where: short stacking energy: -705.158
Base-Backbone interact. energy: 2.721
local terms energy: -813.738561
where:
bonds (distance) C4'-P energy: -159.156
bonds (distance) P-C4' energy: -167.792
flat angles C4'-P-C4' energy: -165.207
flat angles P-C4'-P energy: -108.104
tors. eta vs tors. theta energy: -213.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -2296.801853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.801853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.801853 (E_RNA)
where:
Base-Base interactions energy: -1570.005
where: short stacking energy: -609.374
Base-Backbone interact. energy: -2.759
local terms energy: -724.038505
where:
bonds (distance) C4'-P energy: -141.091
bonds (distance) P-C4' energy: -154.129
flat angles C4'-P-C4' energy: -159.114
flat angles P-C4'-P energy: -102.149
tors. eta vs tors. theta energy: -167.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -2248.151091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.151091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.151091 (E_RNA)
where:
Base-Base interactions energy: -1521.244
where: short stacking energy: -661.204
Base-Backbone interact. energy: -2.670
local terms energy: -724.237233
where:
bonds (distance) C4'-P energy: -136.732
bonds (distance) P-C4' energy: -139.545
flat angles C4'-P-C4' energy: -164.485
flat angles P-C4'-P energy: -96.948
tors. eta vs tors. theta energy: -186.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -2046.146761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.146761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.146761 (E_RNA)
where:
Base-Base interactions energy: -1367.198
where: short stacking energy: -560.541
Base-Backbone interact. energy: 0.418
local terms energy: -679.367114
where:
bonds (distance) C4'-P energy: -129.759
bonds (distance) P-C4' energy: -151.140
flat angles C4'-P-C4' energy: -149.144
flat angles P-C4'-P energy: -97.215
tors. eta vs tors. theta energy: -152.108
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: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1876.788720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.788720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.788720 (E_RNA)
where:
Base-Base interactions energy: -1237.330
where: short stacking energy: -531.828
Base-Backbone interact. energy: -5.241
local terms energy: -634.217676
where:
bonds (distance) C4'-P energy: -127.527
bonds (distance) P-C4' energy: -135.306
flat angles C4'-P-C4' energy: -145.314
flat angles P-C4'-P energy: -85.251
tors. eta vs tors. theta energy: -140.820
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: 10
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1572.750202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.750202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.750202 (E_RNA)
where:
Base-Base interactions energy: -967.794
where: short stacking energy: -437.019
Base-Backbone interact. energy: -2.070
local terms energy: -602.885765
where:
bonds (distance) C4'-P energy: -140.804
bonds (distance) P-C4' energy: -138.676
flat angles C4'-P-C4' energy: -142.102
flat angles P-C4'-P energy: -92.003
tors. eta vs tors. theta energy: -89.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1181.863666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.863666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.863666 (E_RNA)
where:
Base-Base interactions energy: -687.139
where: short stacking energy: -325.310
Base-Backbone interact. energy: -2.060
local terms energy: -492.664970
where:
bonds (distance) C4'-P energy: -133.996
bonds (distance) P-C4' energy: -137.413
flat angles C4'-P-C4' energy: -113.395
flat angles P-C4'-P energy: -60.214
tors. eta vs tors. theta energy: -47.646
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: 7
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -868.824132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.824132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.824132 (E_RNA)
where:
Base-Base interactions energy: -402.937
where: short stacking energy: -236.937
Base-Backbone interact. energy: 0.486
local terms energy: -466.373057
where:
bonds (distance) C4'-P energy: -127.702
bonds (distance) P-C4' energy: -126.737
flat angles C4'-P-C4' energy: -142.633
flat angles P-C4'-P energy: -55.978
tors. eta vs tors. theta energy: -13.323
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: 1
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -708.494996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.494996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.494996 (E_RNA)
where:
Base-Base interactions energy: -311.513
where: short stacking energy: -194.025
Base-Backbone interact. energy: -1.738
local terms energy: -395.244284
where:
bonds (distance) C4'-P energy: -114.868
bonds (distance) P-C4' energy: -120.687
flat angles C4'-P-C4' energy: -102.244
flat angles P-C4'-P energy: -61.533
tors. eta vs tors. theta energy: 4.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -642.191210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.191210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.191210 (E_RNA)
where:
Base-Base interactions energy: -261.045
where: short stacking energy: -179.065
Base-Backbone interact. energy: -2.280
local terms energy: -378.866457
where:
bonds (distance) C4'-P energy: -104.387
bonds (distance) P-C4' energy: -130.264
flat angles C4'-P-C4' energy: -91.006
flat angles P-C4'-P energy: -68.202
tors. eta vs tors. theta energy: 14.992
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: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -2413.014259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.014259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.014259 (E_RNA)
where:
Base-Base interactions energy: -1626.872
where: short stacking energy: -709.466
Base-Backbone interact. energy: -3.884
local terms energy: -782.258477
where:
bonds (distance) C4'-P energy: -151.327
bonds (distance) P-C4' energy: -145.020
flat angles C4'-P-C4' energy: -162.714
flat angles P-C4'-P energy: -108.539
tors. eta vs tors. theta energy: -214.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -2300.278473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.278473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.278473 (E_RNA)
where:
Base-Base interactions energy: -1549.167
where: short stacking energy: -621.914
Base-Backbone interact. energy: -9.029
local terms energy: -742.082701
where:
bonds (distance) C4'-P energy: -142.602
bonds (distance) P-C4' energy: -137.687
flat angles C4'-P-C4' energy: -168.832
flat angles P-C4'-P energy: -115.998
tors. eta vs tors. theta energy: -176.963
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: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -2208.772307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2208.772307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2208.772307 (E_RNA)
where:
Base-Base interactions energy: -1491.046
where: short stacking energy: -635.933
Base-Backbone interact. energy: -2.253
local terms energy: -715.472816
where:
bonds (distance) C4'-P energy: -126.628
bonds (distance) P-C4' energy: -135.042
flat angles C4'-P-C4' energy: -172.343
flat angles P-C4'-P energy: -94.022
tors. eta vs tors. theta energy: -187.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -2125.265390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.265390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.265390 (E_RNA)
where:
Base-Base interactions energy: -1410.433
where: short stacking energy: -615.573
Base-Backbone interact. energy: -3.730
local terms energy: -711.103157
where:
bonds (distance) C4'-P energy: -141.628
bonds (distance) P-C4' energy: -145.034
flat angles C4'-P-C4' energy: -143.140
flat angles P-C4'-P energy: -100.423
tors. eta vs tors. theta energy: -180.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1907.069169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.069169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.069169 (E_RNA)
where:
Base-Base interactions energy: -1264.956
where: short stacking energy: -549.729
Base-Backbone interact. energy: -3.809
local terms energy: -638.303915
where:
bonds (distance) C4'-P energy: -125.320
bonds (distance) P-C4' energy: -151.727
flat angles C4'-P-C4' energy: -135.025
flat angles P-C4'-P energy: -89.156
tors. eta vs tors. theta energy: -137.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1610.690327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.690327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.690327 (E_RNA)
where:
Base-Base interactions energy: -1025.973
where: short stacking energy: -434.707
Base-Backbone interact. energy: -2.310
local terms energy: -582.407153
where:
bonds (distance) C4'-P energy: -126.812
bonds (distance) P-C4' energy: -148.479
flat angles C4'-P-C4' energy: -124.991
flat angles P-C4'-P energy: -85.638
tors. eta vs tors. theta energy: -96.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1284.262160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.262160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.262160 (E_RNA)
where:
Base-Base interactions energy: -740.277
where: short stacking energy: -404.576
Base-Backbone interact. energy: -0.330
local terms energy: -543.654701
where:
bonds (distance) C4'-P energy: -137.293
bonds (distance) P-C4' energy: -137.749
flat angles C4'-P-C4' energy: -142.273
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -71.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -894.788720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.788720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.788720 (E_RNA)
where:
Base-Base interactions energy: -435.368
where: short stacking energy: -219.745
Base-Backbone interact. energy: 8.521
local terms energy: -467.941601
where:
bonds (distance) C4'-P energy: -135.829
bonds (distance) P-C4' energy: -132.655
flat angles C4'-P-C4' energy: -129.327
flat angles P-C4'-P energy: -59.060
tors. eta vs tors. theta energy: -11.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -679.813379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.813379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.813379 (E_RNA)
where:
Base-Base interactions energy: -256.933
where: short stacking energy: -177.795
Base-Backbone interact. energy: 2.016
local terms energy: -424.895997
where:
bonds (distance) C4'-P energy: -129.189
bonds (distance) P-C4' energy: -123.638
flat angles C4'-P-C4' energy: -105.948
flat angles P-C4'-P energy: -73.839
tors. eta vs tors. theta energy: 7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -624.233867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.233867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.233867 (E_RNA)
where:
Base-Base interactions energy: -286.929
where: short stacking energy: -172.118
Base-Backbone interact. energy: 1.009
local terms energy: -338.314587
where:
bonds (distance) C4'-P energy: -114.501
bonds (distance) P-C4' energy: -131.165
flat angles C4'-P-C4' energy: -87.547
flat angles P-C4'-P energy: -40.806
tors. eta vs tors. theta energy: 35.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -2413.330458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2413.330458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2413.330458 (E_RNA)
where:
Base-Base interactions energy: -1598.080
where: short stacking energy: -687.764
Base-Backbone interact. energy: -4.148
local terms energy: -811.102685
where:
bonds (distance) C4'-P energy: -159.573
bonds (distance) P-C4' energy: -148.628
flat angles C4'-P-C4' energy: -165.762
flat angles P-C4'-P energy: -122.808
tors. eta vs tors. theta energy: -214.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -2297.382666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.382666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.382666 (E_RNA)
where:
Base-Base interactions energy: -1586.061
where: short stacking energy: -622.052
Base-Backbone interact. energy: -3.482
local terms energy: -707.839259
where:
bonds (distance) C4'-P energy: -141.608
bonds (distance) P-C4' energy: -150.406
flat angles C4'-P-C4' energy: -146.720
flat angles P-C4'-P energy: -100.596
tors. eta vs tors. theta energy: -168.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -2225.689501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.689501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.689501 (E_RNA)
where:
Base-Base interactions energy: -1511.320
where: short stacking energy: -665.792
Base-Backbone interact. energy: 0.084
local terms energy: -714.452715
where:
bonds (distance) C4'-P energy: -114.526
bonds (distance) P-C4' energy: -162.942
flat angles C4'-P-C4' energy: -156.482
flat angles P-C4'-P energy: -97.492
tors. eta vs tors. theta energy: -183.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -2134.884432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.884432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.884432 (E_RNA)
where:
Base-Base interactions energy: -1423.343
where: short stacking energy: -614.258
Base-Backbone interact. energy: -1.867
local terms energy: -709.674772
where:
bonds (distance) C4'-P energy: -121.147
bonds (distance) P-C4' energy: -148.456
flat angles C4'-P-C4' energy: -161.049
flat angles P-C4'-P energy: -96.631
tors. eta vs tors. theta energy: -182.392
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: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1829.448495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.448495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.448495 (E_RNA)
where:
Base-Base interactions energy: -1208.765
where: short stacking energy: -494.098
Base-Backbone interact. energy: 0.343
local terms energy: -621.026878
where:
bonds (distance) C4'-P energy: -112.869
bonds (distance) P-C4' energy: -144.893
flat angles C4'-P-C4' energy: -141.724
flat angles P-C4'-P energy: -86.749
tors. eta vs tors. theta energy: -134.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1620.046086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.046086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.046086 (E_RNA)
where:
Base-Base interactions energy: -1014.809
where: short stacking energy: -439.374
Base-Backbone interact. energy: -0.529
local terms energy: -604.708072
where:
bonds (distance) C4'-P energy: -136.373
bonds (distance) P-C4' energy: -140.430
flat angles C4'-P-C4' energy: -135.893
flat angles P-C4'-P energy: -83.716
tors. eta vs tors. theta energy: -108.296
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: 7, replica: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1206.741378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.741378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.741378 (E_RNA)
where:
Base-Base interactions energy: -722.114
where: short stacking energy: -355.975
Base-Backbone interact. energy: 0.945
local terms energy: -485.572511
where:
bonds (distance) C4'-P energy: -119.572
bonds (distance) P-C4' energy: -135.597
flat angles C4'-P-C4' energy: -114.349
flat angles P-C4'-P energy: -52.005
tors. eta vs tors. theta energy: -64.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -924.587980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.587980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.587980 (E_RNA)
where:
Base-Base interactions energy: -462.607
where: short stacking energy: -231.777
Base-Backbone interact. energy: -0.308
local terms energy: -461.672703
where:
bonds (distance) C4'-P energy: -126.733
bonds (distance) P-C4' energy: -133.680
flat angles C4'-P-C4' energy: -110.303
flat angles P-C4'-P energy: -78.970
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -707.714195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.714195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.714195 (E_RNA)
where:
Base-Base interactions energy: -327.990
where: short stacking energy: -230.947
Base-Backbone interact. energy: 1.877
local terms energy: -381.601903
where:
bonds (distance) C4'-P energy: -111.221
bonds (distance) P-C4' energy: -118.237
flat angles C4'-P-C4' energy: -110.443
flat angles P-C4'-P energy: -41.005
tors. eta vs tors. theta energy: -0.696
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: 1
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -650.657942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.657942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.657942 (E_RNA)
where:
Base-Base interactions energy: -276.556
where: short stacking energy: -176.922
Base-Backbone interact. energy: 8.894
local terms energy: -382.996026
where:
bonds (distance) C4'-P energy: -119.931
bonds (distance) P-C4' energy: -121.918
flat angles C4'-P-C4' energy: -95.076
flat angles P-C4'-P energy: -70.828
tors. eta vs tors. theta energy: 24.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -2381.194392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.194392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.194392 (E_RNA)
where:
Base-Base interactions energy: -1581.375
where: short stacking energy: -707.427
Base-Backbone interact. energy: 2.604
local terms energy: -802.423510
where:
bonds (distance) C4'-P energy: -141.228
bonds (distance) P-C4' energy: -148.058
flat angles C4'-P-C4' energy: -174.288
flat angles P-C4'-P energy: -112.559
tors. eta vs tors. theta energy: -226.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -2269.494962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.494962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.494962 (E_RNA)
where:
Base-Base interactions energy: -1563.595
where: short stacking energy: -612.024
Base-Backbone interact. energy: 4.902
local terms energy: -710.801990
where:
bonds (distance) C4'-P energy: -143.646
bonds (distance) P-C4' energy: -150.468
flat angles C4'-P-C4' energy: -159.100
flat angles P-C4'-P energy: -99.921
tors. eta vs tors. theta energy: -157.668
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -2219.566320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.566320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.566320 (E_RNA)
where:
Base-Base interactions energy: -1463.905
where: short stacking energy: -624.587
Base-Backbone interact. energy: -1.090
local terms energy: -754.571217
where:
bonds (distance) C4'-P energy: -144.770
bonds (distance) P-C4' energy: -150.286
flat angles C4'-P-C4' energy: -164.024
flat angles P-C4'-P energy: -119.170
tors. eta vs tors. theta energy: -176.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -2109.095462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.095462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.095462 (E_RNA)
where:
Base-Base interactions energy: -1384.857
where: short stacking energy: -616.206
Base-Backbone interact. energy: -1.111
local terms energy: -723.127658
where:
bonds (distance) C4'-P energy: -136.591
bonds (distance) P-C4' energy: -140.565
flat angles C4'-P-C4' energy: -161.091
flat angles P-C4'-P energy: -93.722
tors. eta vs tors. theta energy: -191.160
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: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1769.611787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.611787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.611787 (E_RNA)
where:
Base-Base interactions energy: -1159.123
where: short stacking energy: -476.145
Base-Backbone interact. energy: 0.321
local terms energy: -610.809764
where:
bonds (distance) C4'-P energy: -132.861
bonds (distance) P-C4' energy: -151.008
flat angles C4'-P-C4' energy: -135.132
flat angles P-C4'-P energy: -77.129
tors. eta vs tors. theta energy: -114.679
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: 10
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1651.204287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.204287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.204287 (E_RNA)
where:
Base-Base interactions energy: -1058.640
where: short stacking energy: -468.060
Base-Backbone interact. energy: 2.890
local terms energy: -595.454311
where:
bonds (distance) C4'-P energy: -128.166
bonds (distance) P-C4' energy: -126.394
flat angles C4'-P-C4' energy: -131.518
flat angles P-C4'-P energy: -90.549
tors. eta vs tors. theta energy: -118.827
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: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1194.244986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.244986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.244986 (E_RNA)
where:
Base-Base interactions energy: -690.053
where: short stacking energy: -338.326
Base-Backbone interact. energy: -3.255
local terms energy: -500.937084
where:
bonds (distance) C4'-P energy: -116.988
bonds (distance) P-C4' energy: -142.210
flat angles C4'-P-C4' energy: -109.845
flat angles P-C4'-P energy: -85.445
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -896.683088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.683088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.683088 (E_RNA)
where:
Base-Base interactions energy: -441.025
where: short stacking energy: -254.511
Base-Backbone interact. energy: -0.290
local terms energy: -455.368828
where:
bonds (distance) C4'-P energy: -132.473
bonds (distance) P-C4' energy: -132.541
flat angles C4'-P-C4' energy: -126.800
flat angles P-C4'-P energy: -61.952
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -715.161397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.161397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.161397 (E_RNA)
where:
Base-Base interactions energy: -297.253
where: short stacking energy: -206.565
Base-Backbone interact. energy: 3.253
local terms energy: -421.162004
where:
bonds (distance) C4'-P energy: -130.055
bonds (distance) P-C4' energy: -132.958
flat angles C4'-P-C4' energy: -96.329
flat angles P-C4'-P energy: -51.454
tors. eta vs tors. theta energy: -10.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -685.934899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.934899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.934899 (E_RNA)
where:
Base-Base interactions energy: -311.295
where: short stacking energy: -182.141
Base-Backbone interact. energy: 1.891
local terms energy: -376.531580
where:
bonds (distance) C4'-P energy: -112.654
bonds (distance) P-C4' energy: -125.725
flat angles C4'-P-C4' energy: -91.652
flat angles P-C4'-P energy: -66.471
tors. eta vs tors. theta energy: 19.971
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: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -2404.155665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.155665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.155665 (E_RNA)
where:
Base-Base interactions energy: -1596.661
where: short stacking energy: -727.110
Base-Backbone interact. energy: -1.458
local terms energy: -806.036202
where:
bonds (distance) C4'-P energy: -146.108
bonds (distance) P-C4' energy: -157.472
flat angles C4'-P-C4' energy: -169.963
flat angles P-C4'-P energy: -110.527
tors. eta vs tors. theta energy: -221.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -2351.663234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.663234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.663234 (E_RNA)
where:
Base-Base interactions energy: -1587.297
where: short stacking energy: -691.397
Base-Backbone interact. energy: 0.831
local terms energy: -765.196699
where:
bonds (distance) C4'-P energy: -150.583
bonds (distance) P-C4' energy: -142.834
flat angles C4'-P-C4' energy: -164.553
flat angles P-C4'-P energy: -109.122
tors. eta vs tors. theta energy: -198.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -2238.276149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.276149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.276149 (E_RNA)
where:
Base-Base interactions energy: -1514.327
where: short stacking energy: -595.460
Base-Backbone interact. energy: -3.240
local terms energy: -720.709608
where:
bonds (distance) C4'-P energy: -149.315
bonds (distance) P-C4' energy: -147.598
flat angles C4'-P-C4' energy: -164.571
flat angles P-C4'-P energy: -106.147
tors. eta vs tors. theta energy: -153.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -2149.778902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.778902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.778902 (E_RNA)
where:
Base-Base interactions energy: -1440.271
where: short stacking energy: -600.480
Base-Backbone interact. energy: -1.832
local terms energy: -707.676105
where:
bonds (distance) C4'-P energy: -142.098
bonds (distance) P-C4' energy: -151.560
flat angles C4'-P-C4' energy: -159.558
flat angles P-C4'-P energy: -93.792
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: 5, replica: 3
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1825.111679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.111679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.111679 (E_RNA)
where:
Base-Base interactions energy: -1165.675
where: short stacking energy: -506.904
Base-Backbone interact. energy: -4.066
local terms energy: -655.370327
where:
bonds (distance) C4'-P energy: -135.779
bonds (distance) P-C4' energy: -136.828
flat angles C4'-P-C4' energy: -151.912
flat angles P-C4'-P energy: -109.340
tors. eta vs tors. theta energy: -121.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1706.641241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.641241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.641241 (E_RNA)
where:
Base-Base interactions energy: -1091.325
where: short stacking energy: -467.745
Base-Backbone interact. energy: 2.986
local terms energy: -618.302265
where:
bonds (distance) C4'-P energy: -130.095
bonds (distance) P-C4' energy: -141.895
flat angles C4'-P-C4' energy: -154.794
flat angles P-C4'-P energy: -90.442
tors. eta vs tors. theta energy: -101.076
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: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1216.021490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.021490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.021490 (E_RNA)
where:
Base-Base interactions energy: -695.929
where: short stacking energy: -325.013
Base-Backbone interact. energy: 4.914
local terms energy: -525.007090
where:
bonds (distance) C4'-P energy: -119.033
bonds (distance) P-C4' energy: -138.671
flat angles C4'-P-C4' energy: -125.953
flat angles P-C4'-P energy: -82.037
tors. eta vs tors. theta energy: -59.312
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: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -888.135081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.135081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.135081 (E_RNA)
where:
Base-Base interactions energy: -428.595
where: short stacking energy: -240.824
Base-Backbone interact. energy: 5.107
local terms energy: -464.646798
where:
bonds (distance) C4'-P energy: -128.014
bonds (distance) P-C4' energy: -127.247
flat angles C4'-P-C4' energy: -108.455
flat angles P-C4'-P energy: -77.722
tors. eta vs tors. theta energy: -23.210
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: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -711.183783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.183783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.183783 (E_RNA)
where:
Base-Base interactions energy: -321.222
where: short stacking energy: -197.894
Base-Backbone interact. energy: 5.205
local terms energy: -395.167350
where:
bonds (distance) C4'-P energy: -126.465
bonds (distance) P-C4' energy: -128.677
flat angles C4'-P-C4' energy: -104.323
flat angles P-C4'-P energy: -48.696
tors. eta vs tors. theta energy: 12.993
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: 67
Temperature: 1.350000
Total energy: -657.476632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.476632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.476632 (E_RNA)
where:
Base-Base interactions energy: -281.781
where: short stacking energy: -193.663
Base-Backbone interact. energy: 1.480
local terms energy: -377.176108
where:
bonds (distance) C4'-P energy: -101.543
bonds (distance) P-C4' energy: -123.290
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -58.952
tors. eta vs tors. theta energy: 10.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -2428.860958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.860958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.860958 (E_RNA)
where:
Base-Base interactions energy: -1643.102
where: short stacking energy: -718.397
Base-Backbone interact. energy: -1.354
local terms energy: -784.404473
where:
bonds (distance) C4'-P energy: -152.743
bonds (distance) P-C4' energy: -149.552
flat angles C4'-P-C4' energy: -169.349
flat angles P-C4'-P energy: -105.660
tors. eta vs tors. theta energy: -207.101
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -2374.619964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.619964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.619964 (E_RNA)
where:
Base-Base interactions energy: -1559.562
where: short stacking energy: -686.004
Base-Backbone interact. energy: -1.619
local terms energy: -813.438887
where:
bonds (distance) C4'-P energy: -145.495
bonds (distance) P-C4' energy: -154.847
flat angles C4'-P-C4' energy: -181.268
flat angles P-C4'-P energy: -121.508
tors. eta vs tors. theta energy: -210.321
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: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -2214.388983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2214.388983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2214.388983 (E_RNA)
where:
Base-Base interactions energy: -1528.894
where: short stacking energy: -601.332
Base-Backbone interact. energy: -4.155
local terms energy: -681.339977
where:
bonds (distance) C4'-P energy: -132.475
bonds (distance) P-C4' energy: -152.500
flat angles C4'-P-C4' energy: -147.523
flat angles P-C4'-P energy: -98.727
tors. eta vs tors. theta energy: -150.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -2132.950257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.950257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.950257 (E_RNA)
where:
Base-Base interactions energy: -1430.666
where: short stacking energy: -609.286
Base-Backbone interact. energy: -5.531
local terms energy: -696.752821
where:
bonds (distance) C4'-P energy: -136.476
bonds (distance) P-C4' energy: -124.837
flat angles C4'-P-C4' energy: -154.225
flat angles P-C4'-P energy: -113.659
tors. eta vs tors. theta energy: -167.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1878.769085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.769085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.769085 (E_RNA)
where:
Base-Base interactions energy: -1241.255
where: short stacking energy: -539.164
Base-Backbone interact. energy: -3.008
local terms energy: -634.506652
where:
bonds (distance) C4'-P energy: -146.628
bonds (distance) P-C4' energy: -136.496
flat angles C4'-P-C4' energy: -138.514
flat angles P-C4'-P energy: -81.485
tors. eta vs tors. theta energy: -131.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1615.238833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.238833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.238833 (E_RNA)
where:
Base-Base interactions energy: -1056.420
where: short stacking energy: -494.462
Base-Backbone interact. energy: -1.906
local terms energy: -556.911959
where:
bonds (distance) C4'-P energy: -97.222
bonds (distance) P-C4' energy: -129.570
flat angles C4'-P-C4' energy: -131.551
flat angles P-C4'-P energy: -72.546
tors. eta vs tors. theta energy: -126.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1236.997389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.997389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.997389 (E_RNA)
where:
Base-Base interactions energy: -711.899
where: short stacking energy: -335.074
Base-Backbone interact. energy: 5.378
local terms energy: -530.476023
where:
bonds (distance) C4'-P energy: -117.484
bonds (distance) P-C4' energy: -140.070
flat angles C4'-P-C4' energy: -142.710
flat angles P-C4'-P energy: -77.211
tors. eta vs tors. theta energy: -53.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -868.789209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.789209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.789209 (E_RNA)
where:
Base-Base interactions energy: -403.352
where: short stacking energy: -253.410
Base-Backbone interact. energy: -2.169
local terms energy: -463.268917
where:
bonds (distance) C4'-P energy: -128.782
bonds (distance) P-C4' energy: -136.320
flat angles C4'-P-C4' energy: -117.653
flat angles P-C4'-P energy: -66.884
tors. eta vs tors. theta energy: -13.630
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: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -670.363548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.363548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.363548 (E_RNA)
where:
Base-Base interactions energy: -261.612
where: short stacking energy: -165.534
Base-Backbone interact. energy: 4.302
local terms energy: -413.053827
where:
bonds (distance) C4'-P energy: -125.498
bonds (distance) P-C4' energy: -141.234
flat angles C4'-P-C4' energy: -105.992
flat angles P-C4'-P energy: -69.312
tors. eta vs tors. theta energy: 28.981
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: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -598.201732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.201732 (E_RNA)
where:
Base-Base interactions energy: -231.896
where: short stacking energy: -138.389
Base-Backbone interact. energy: 4.846
local terms energy: -371.152301
where:
bonds (distance) C4'-P energy: -106.216
bonds (distance) P-C4' energy: -133.819
flat angles C4'-P-C4' energy: -103.727
flat angles P-C4'-P energy: -69.477
tors. eta vs tors. theta energy: 42.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -2395.486350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.486350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.486350 (E_RNA)
where:
Base-Base interactions energy: -1597.401
where: short stacking energy: -694.576
Base-Backbone interact. energy: -3.884
local terms energy: -794.201635
where:
bonds (distance) C4'-P energy: -154.332
bonds (distance) P-C4' energy: -165.037
flat angles C4'-P-C4' energy: -163.373
flat angles P-C4'-P energy: -106.799
tors. eta vs tors. theta energy: -204.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -2376.715466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.715466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.715466 (E_RNA)
where:
Base-Base interactions energy: -1596.248
where: short stacking energy: -689.604
Base-Backbone interact. energy: -2.395
local terms energy: -778.073158
where:
bonds (distance) C4'-P energy: -147.048
bonds (distance) P-C4' energy: -148.348
flat angles C4'-P-C4' energy: -173.207
flat angles P-C4'-P energy: -109.390
tors. eta vs tors. theta energy: -200.080
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: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -2213.659976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.659976 (E_RNA)
where:
Base-Base interactions energy: -1543.688
where: short stacking energy: -593.968
Base-Backbone interact. energy: 4.043
local terms energy: -674.014795
where:
bonds (distance) C4'-P energy: -136.150
bonds (distance) P-C4' energy: -146.237
flat angles C4'-P-C4' energy: -150.689
flat angles P-C4'-P energy: -94.195
tors. eta vs tors. theta energy: -146.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -2163.193806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.193806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.193806 (E_RNA)
where:
Base-Base interactions energy: -1455.104
where: short stacking energy: -619.861
Base-Backbone interact. energy: -2.692
local terms energy: -705.398546
where:
bonds (distance) C4'-P energy: -137.595
bonds (distance) P-C4' energy: -130.785
flat angles C4'-P-C4' energy: -167.110
flat angles P-C4'-P energy: -89.712
tors. eta vs tors. theta energy: -180.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1846.151340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.151340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.151340 (E_RNA)
where:
Base-Base interactions energy: -1204.931
where: short stacking energy: -507.243
Base-Backbone interact. energy: 3.230
local terms energy: -644.449848
where:
bonds (distance) C4'-P energy: -125.229
bonds (distance) P-C4' energy: -147.659
flat angles C4'-P-C4' energy: -154.957
flat angles P-C4'-P energy: -100.706
tors. eta vs tors. theta energy: -115.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1581.429795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.429795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.429795 (E_RNA)
where:
Base-Base interactions energy: -1017.815
where: short stacking energy: -453.883
Base-Backbone interact. energy: 5.656
local terms energy: -569.270309
where:
bonds (distance) C4'-P energy: -127.304
bonds (distance) P-C4' energy: -133.186
flat angles C4'-P-C4' energy: -141.407
flat angles P-C4'-P energy: -85.477
tors. eta vs tors. theta energy: -81.895
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: 8
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1229.943197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.943197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.943197 (E_RNA)
where:
Base-Base interactions energy: -711.857
where: short stacking energy: -324.411
Base-Backbone interact. energy: -3.988
local terms energy: -514.098931
where:
bonds (distance) C4'-P energy: -122.152
bonds (distance) P-C4' energy: -130.169
flat angles C4'-P-C4' energy: -121.812
flat angles P-C4'-P energy: -85.475
tors. eta vs tors. theta energy: -54.491
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: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -866.710109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.710109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.710109 (E_RNA)
where:
Base-Base interactions energy: -396.846
where: short stacking energy: -239.129
Base-Backbone interact. energy: 0.782
local terms energy: -470.645611
where:
bonds (distance) C4'-P energy: -121.366
bonds (distance) P-C4' energy: -131.579
flat angles C4'-P-C4' energy: -128.604
flat angles P-C4'-P energy: -75.762
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -720.880881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.880881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.880881 (E_RNA)
where:
Base-Base interactions energy: -308.145
where: short stacking energy: -210.767
Base-Backbone interact. energy: 0.643
local terms energy: -413.378920
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -114.378
flat angles C4'-P-C4' energy: -121.011
flat angles P-C4'-P energy: -64.233
tors. eta vs tors. theta energy: 3.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -567.385348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.385348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.385348 (E_RNA)
where:
Base-Base interactions energy: -201.234
where: short stacking energy: -172.014
Base-Backbone interact. energy: -1.153
local terms energy: -364.998599
where:
bonds (distance) C4'-P energy: -118.437
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -101.522
flat angles P-C4'-P energy: -48.557
tors. eta vs tors. theta energy: 37.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -2405.361371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.361371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.361371 (E_RNA)
where:
Base-Base interactions energy: -1605.735
where: short stacking energy: -693.725
Base-Backbone interact. energy: -2.082
local terms energy: -797.544283
where:
bonds (distance) C4'-P energy: -155.217
bonds (distance) P-C4' energy: -166.162
flat angles C4'-P-C4' energy: -158.795
flat angles P-C4'-P energy: -111.884
tors. eta vs tors. theta energy: -205.487
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: 70
Temperature: 0.950000
Total energy: -2373.964095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.964095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.964095 (E_RNA)
where:
Base-Base interactions energy: -1603.252
where: short stacking energy: -664.401
Base-Backbone interact. energy: -4.473
local terms energy: -766.239592
where:
bonds (distance) C4'-P energy: -143.496
bonds (distance) P-C4' energy: -140.172
flat angles C4'-P-C4' energy: -165.405
flat angles P-C4'-P energy: -110.068
tors. eta vs tors. theta energy: -207.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -2206.160979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.160979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.160979 (E_RNA)
where:
Base-Base interactions energy: -1522.360
where: short stacking energy: -590.160
Base-Backbone interact. energy: 6.688
local terms energy: -690.489010
where:
bonds (distance) C4'-P energy: -142.769
bonds (distance) P-C4' energy: -145.089
flat angles C4'-P-C4' energy: -142.437
flat angles P-C4'-P energy: -99.243
tors. eta vs tors. theta energy: -160.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -2112.315122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.315122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.315122 (E_RNA)
where:
Base-Base interactions energy: -1421.322
where: short stacking energy: -625.427
Base-Backbone interact. energy: 4.655
local terms energy: -695.647860
where:
bonds (distance) C4'-P energy: -131.594
bonds (distance) P-C4' energy: -122.947
flat angles C4'-P-C4' energy: -165.767
flat angles P-C4'-P energy: -102.407
tors. eta vs tors. theta energy: -172.933
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: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1791.518193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.518193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.518193 (E_RNA)
where:
Base-Base interactions energy: -1175.426
where: short stacking energy: -516.956
Base-Backbone interact. energy: 6.583
local terms energy: -622.675599
where:
bonds (distance) C4'-P energy: -131.820
bonds (distance) P-C4' energy: -126.333
flat angles C4'-P-C4' energy: -144.995
flat angles P-C4'-P energy: -98.866
tors. eta vs tors. theta energy: -120.661
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: 10
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1578.617539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.617539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.617539 (E_RNA)
where:
Base-Base interactions energy: -998.004
where: short stacking energy: -452.159
Base-Backbone interact. energy: -2.199
local terms energy: -578.414513
where:
bonds (distance) C4'-P energy: -120.884
bonds (distance) P-C4' energy: -126.542
flat angles C4'-P-C4' energy: -131.669
flat angles P-C4'-P energy: -85.787
tors. eta vs tors. theta energy: -113.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1275.062694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.062694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.062694 (E_RNA)
where:
Base-Base interactions energy: -732.188
where: short stacking energy: -350.921
Base-Backbone interact. energy: 4.651
local terms energy: -547.525780
where:
bonds (distance) C4'-P energy: -119.521
bonds (distance) P-C4' energy: -142.844
flat angles C4'-P-C4' energy: -145.034
flat angles P-C4'-P energy: -80.315
tors. eta vs tors. theta energy: -59.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -908.742020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.742020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.742020 (E_RNA)
where:
Base-Base interactions energy: -416.054
where: short stacking energy: -230.794
Base-Backbone interact. energy: 1.826
local terms energy: -494.514270
where:
bonds (distance) C4'-P energy: -129.888
bonds (distance) P-C4' energy: -127.841
flat angles C4'-P-C4' energy: -127.520
flat angles P-C4'-P energy: -83.138
tors. eta vs tors. theta energy: -26.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -660.556256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.556256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.556256 (E_RNA)
where:
Base-Base interactions energy: -276.833
where: short stacking energy: -173.961
Base-Backbone interact. energy: 6.145
local terms energy: -389.867815
where:
bonds (distance) C4'-P energy: -129.958
bonds (distance) P-C4' energy: -125.011
flat angles C4'-P-C4' energy: -92.667
flat angles P-C4'-P energy: -67.707
tors. eta vs tors. theta energy: 25.475
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: 1
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -557.016375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.016375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.016375 (E_RNA)
where:
Base-Base interactions energy: -183.833
where: short stacking energy: -136.539
Base-Backbone interact. energy: -2.675
local terms energy: -370.509163
where:
bonds (distance) C4'-P energy: -124.877
bonds (distance) P-C4' energy: -136.078
flat angles C4'-P-C4' energy: -89.866
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: 34.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -2403.142957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.142957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.142957 (E_RNA)
where:
Base-Base interactions energy: -1592.434
where: short stacking energy: -710.262
Base-Backbone interact. energy: -4.855
local terms energy: -805.853630
where:
bonds (distance) C4'-P energy: -157.969
bonds (distance) P-C4' energy: -146.242
flat angles C4'-P-C4' energy: -179.519
flat angles P-C4'-P energy: -110.668
tors. eta vs tors. theta energy: -211.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -2459.920213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.920213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.920213 (E_RNA)
where:
Base-Base interactions energy: -1661.715
where: short stacking energy: -693.144
Base-Backbone interact. energy: -0.425
local terms energy: -797.779967
where:
bonds (distance) C4'-P energy: -147.366
bonds (distance) P-C4' energy: -152.986
flat angles C4'-P-C4' energy: -171.050
flat angles P-C4'-P energy: -112.325
tors. eta vs tors. theta energy: -214.054
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: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -2192.392694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.392694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.392694 (E_RNA)
where:
Base-Base interactions energy: -1496.183
where: short stacking energy: -591.633
Base-Backbone interact. energy: 4.496
local terms energy: -700.706539
where:
bonds (distance) C4'-P energy: -132.551
bonds (distance) P-C4' energy: -143.313
flat angles C4'-P-C4' energy: -163.079
flat angles P-C4'-P energy: -108.991
tors. eta vs tors. theta energy: -152.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -2128.978078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.978078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.978078 (E_RNA)
where:
Base-Base interactions energy: -1434.113
where: short stacking energy: -621.029
Base-Backbone interact. energy: -0.409
local terms energy: -694.456114
where:
bonds (distance) C4'-P energy: -132.787
bonds (distance) P-C4' energy: -119.811
flat angles C4'-P-C4' energy: -152.280
flat angles P-C4'-P energy: -99.735
tors. eta vs tors. theta energy: -189.842
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: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1848.048315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.048315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.048315 (E_RNA)
where:
Base-Base interactions energy: -1203.910
where: short stacking energy: -528.395
Base-Backbone interact. energy: -5.578
local terms energy: -638.560449
where:
bonds (distance) C4'-P energy: -135.174
bonds (distance) P-C4' energy: -142.431
flat angles C4'-P-C4' energy: -132.617
flat angles P-C4'-P energy: -82.933
tors. eta vs tors. theta energy: -145.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1635.962875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.962875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.962875 (E_RNA)
where:
Base-Base interactions energy: -1053.002
where: short stacking energy: -467.419
Base-Backbone interact. energy: -2.077
local terms energy: -580.883324
where:
bonds (distance) C4'-P energy: -128.088
bonds (distance) P-C4' energy: -126.824
flat angles C4'-P-C4' energy: -132.557
flat angles P-C4'-P energy: -87.190
tors. eta vs tors. theta energy: -106.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1271.493640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.493640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.493640 (E_RNA)
where:
Base-Base interactions energy: -766.048
where: short stacking energy: -365.228
Base-Backbone interact. energy: -3.711
local terms energy: -501.734141
where:
bonds (distance) C4'-P energy: -106.274
bonds (distance) P-C4' energy: -137.615
flat angles C4'-P-C4' energy: -125.552
flat angles P-C4'-P energy: -87.045
tors. eta vs tors. theta energy: -45.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1020.244601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.244601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.244601 (E_RNA)
where:
Base-Base interactions energy: -574.257
where: short stacking energy: -313.477
Base-Backbone interact. energy: 3.608
local terms energy: -449.596098
where:
bonds (distance) C4'-P energy: -118.134
bonds (distance) P-C4' energy: -134.411
flat angles C4'-P-C4' energy: -106.876
flat angles P-C4'-P energy: -60.058
tors. eta vs tors. theta energy: -30.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -666.421264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.421264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.421264 (E_RNA)
where:
Base-Base interactions energy: -286.570
where: short stacking energy: -202.358
Base-Backbone interact. energy: 10.131
local terms energy: -389.982917
where:
bonds (distance) C4'-P energy: -115.639
bonds (distance) P-C4' energy: -113.667
flat angles C4'-P-C4' energy: -110.589
flat angles P-C4'-P energy: -67.327
tors. eta vs tors. theta energy: 17.239
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: 1
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -568.593970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.593970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.593970 (E_RNA)
where:
Base-Base interactions energy: -200.158
where: short stacking energy: -159.605
Base-Backbone interact. energy: -0.874
local terms energy: -367.561608
where:
bonds (distance) C4'-P energy: -125.472
bonds (distance) P-C4' energy: -128.851
flat angles C4'-P-C4' energy: -88.172
flat angles P-C4'-P energy: -51.308
tors. eta vs tors. theta energy: 26.241
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: 2
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -2498.007229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.007229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.007229 (E_RNA)
where:
Base-Base interactions energy: -1688.992
where: short stacking energy: -720.238
Base-Backbone interact. energy: -3.949
local terms energy: -805.066109
where:
bonds (distance) C4'-P energy: -163.313
bonds (distance) P-C4' energy: -148.369
flat angles C4'-P-C4' energy: -166.241
flat angles P-C4'-P energy: -119.188
tors. eta vs tors. theta energy: -207.954
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: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -2350.475990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.475990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.475990 (E_RNA)
where:
Base-Base interactions energy: -1568.489
where: short stacking energy: -682.920
Base-Backbone interact. energy: -0.901
local terms energy: -781.086466
where:
bonds (distance) C4'-P energy: -150.669
bonds (distance) P-C4' energy: -149.967
flat angles C4'-P-C4' energy: -158.841
flat angles P-C4'-P energy: -105.518
tors. eta vs tors. theta energy: -216.091
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: 5
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -2203.089693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.089693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.089693 (E_RNA)
where:
Base-Base interactions energy: -1502.854
where: short stacking energy: -602.800
Base-Backbone interact. energy: -2.737
local terms energy: -697.499344
where:
bonds (distance) C4'-P energy: -152.256
bonds (distance) P-C4' energy: -144.283
flat angles C4'-P-C4' energy: -148.582
flat angles P-C4'-P energy: -89.301
tors. eta vs tors. theta energy: -163.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -2162.058573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.058573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.058573 (E_RNA)
where:
Base-Base interactions energy: -1439.834
where: short stacking energy: -615.845
Base-Backbone interact. energy: -2.065
local terms energy: -720.159185
where:
bonds (distance) C4'-P energy: -141.798
bonds (distance) P-C4' energy: -139.223
flat angles C4'-P-C4' energy: -155.328
flat angles P-C4'-P energy: -93.114
tors. eta vs tors. theta energy: -190.696
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: 72
Temperature: 1.100000
Total energy: -1870.033111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.033111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.033111 (E_RNA)
where:
Base-Base interactions energy: -1211.504
where: short stacking energy: -541.526
Base-Backbone interact. energy: 2.120
local terms energy: -660.649007
where:
bonds (distance) C4'-P energy: -124.891
bonds (distance) P-C4' energy: -152.936
flat angles C4'-P-C4' energy: -146.308
flat angles P-C4'-P energy: -96.717
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: 6, replica: 10
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1600.679179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.679179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.679179 (E_RNA)
where:
Base-Base interactions energy: -1008.687
where: short stacking energy: -439.796
Base-Backbone interact. energy: 0.219
local terms energy: -592.210360
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -139.791
flat angles C4'-P-C4' energy: -141.179
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -101.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1322.918564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.918564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.918564 (E_RNA)
where:
Base-Base interactions energy: -790.251
where: short stacking energy: -369.108
Base-Backbone interact. energy: -4.197
local terms energy: -528.470763
where:
bonds (distance) C4'-P energy: -125.438
bonds (distance) P-C4' energy: -115.824
flat angles C4'-P-C4' energy: -132.164
flat angles P-C4'-P energy: -76.523
tors. eta vs tors. theta energy: -78.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -974.897755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.897755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.897755 (E_RNA)
where:
Base-Base interactions energy: -519.392
where: short stacking energy: -256.343
Base-Backbone interact. energy: -2.016
local terms energy: -453.490035
where:
bonds (distance) C4'-P energy: -116.101
bonds (distance) P-C4' energy: -128.697
flat angles C4'-P-C4' energy: -114.118
flat angles P-C4'-P energy: -76.790
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -688.964106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.964106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.964106 (E_RNA)
where:
Base-Base interactions energy: -298.124
where: short stacking energy: -217.354
Base-Backbone interact. energy: -0.052
local terms energy: -390.787814
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -128.014
flat angles C4'-P-C4' energy: -104.252
flat angles P-C4'-P energy: -48.182
tors. eta vs tors. theta energy: 5.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -547.250226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.250226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.250226 (E_RNA)
where:
Base-Base interactions energy: -169.927
where: short stacking energy: -140.440
Base-Backbone interact. energy: 1.042
local terms energy: -378.365250
where:
bonds (distance) C4'-P energy: -128.880
bonds (distance) P-C4' energy: -106.662
flat angles C4'-P-C4' energy: -115.746
flat angles P-C4'-P energy: -62.847
tors. eta vs tors. theta energy: 35.770
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: 2
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -2534.588328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2534.588328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2534.588328 (E_RNA)
where:
Base-Base interactions energy: -1717.767
where: short stacking energy: -747.229
Base-Backbone interact. energy: -3.371
local terms energy: -813.449476
where:
bonds (distance) C4'-P energy: -147.463
bonds (distance) P-C4' energy: -156.918
flat angles C4'-P-C4' energy: -166.396
flat angles P-C4'-P energy: -130.091
tors. eta vs tors. theta energy: -212.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -2321.238780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.238780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.238780 (E_RNA)
where:
Base-Base interactions energy: -1542.515
where: short stacking energy: -686.158
Base-Backbone interact. energy: -4.473
local terms energy: -774.250761
where:
bonds (distance) C4'-P energy: -139.951
bonds (distance) P-C4' energy: -149.362
flat angles C4'-P-C4' energy: -158.010
flat angles P-C4'-P energy: -117.815
tors. eta vs tors. theta energy: -209.113
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: 73
Temperature: 1.000000
Total energy: -2181.989402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2181.989402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2181.989402 (E_RNA)
where:
Base-Base interactions energy: -1500.916
where: short stacking energy: -575.827
Base-Backbone interact. energy: -1.754
local terms energy: -679.318875
where:
bonds (distance) C4'-P energy: -130.651
bonds (distance) P-C4' energy: -154.145
flat angles C4'-P-C4' energy: -158.139
flat angles P-C4'-P energy: -91.793
tors. eta vs tors. theta energy: -144.591
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: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -2060.856079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.856079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.856079 (E_RNA)
where:
Base-Base interactions energy: -1317.935
where: short stacking energy: -570.800
Base-Backbone interact. energy: -0.672
local terms energy: -742.249046
where:
bonds (distance) C4'-P energy: -152.481
bonds (distance) P-C4' energy: -154.124
flat angles C4'-P-C4' energy: -155.497
flat angles P-C4'-P energy: -101.167
tors. eta vs tors. theta energy: -178.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1869.600144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.600144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.600144 (E_RNA)
where:
Base-Base interactions energy: -1239.834
where: short stacking energy: -515.119
Base-Backbone interact. energy: 4.676
local terms energy: -634.441233
where:
bonds (distance) C4'-P energy: -140.786
bonds (distance) P-C4' energy: -130.571
flat angles C4'-P-C4' energy: -145.050
flat angles P-C4'-P energy: -81.957
tors. eta vs tors. theta energy: -136.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1586.051292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.051292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.051292 (E_RNA)
where:
Base-Base interactions energy: -1001.782
where: short stacking energy: -465.272
Base-Backbone interact. energy: 1.040
local terms energy: -585.309696
where:
bonds (distance) C4'-P energy: -136.338
bonds (distance) P-C4' energy: -139.386
flat angles C4'-P-C4' energy: -130.842
flat angles P-C4'-P energy: -87.101
tors. eta vs tors. theta energy: -91.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1432.561439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.561439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.561439 (E_RNA)
where:
Base-Base interactions energy: -881.825
where: short stacking energy: -425.010
Base-Backbone interact. energy: -0.198
local terms energy: -550.538746
where:
bonds (distance) C4'-P energy: -123.998
bonds (distance) P-C4' energy: -138.736
flat angles C4'-P-C4' energy: -120.597
flat angles P-C4'-P energy: -88.551
tors. eta vs tors. theta energy: -78.657
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: 7
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -996.404979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.404979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.404979 (E_RNA)
where:
Base-Base interactions energy: -515.913
where: short stacking energy: -280.343
Base-Backbone interact. energy: -0.183
local terms energy: -480.309007
where:
bonds (distance) C4'-P energy: -121.149
bonds (distance) P-C4' energy: -145.348
flat angles C4'-P-C4' energy: -121.030
flat angles P-C4'-P energy: -69.581
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -724.920945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.920945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.920945 (E_RNA)
where:
Base-Base interactions energy: -303.108
where: short stacking energy: -189.500
Base-Backbone interact. energy: 3.037
local terms energy: -424.849769
where:
bonds (distance) C4'-P energy: -107.485
bonds (distance) P-C4' energy: -147.592
flat angles C4'-P-C4' energy: -119.286
flat angles P-C4'-P energy: -50.916
tors. eta vs tors. theta energy: 0.430
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: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -571.593074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.593074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.593074 (E_RNA)
where:
Base-Base interactions energy: -185.423
where: short stacking energy: -129.456
Base-Backbone interact. energy: 2.159
local terms energy: -388.328721
where:
bonds (distance) C4'-P energy: -141.507
bonds (distance) P-C4' energy: -133.152
flat angles C4'-P-C4' energy: -95.012
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: 31.713
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: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -2513.423501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.423501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.423501 (E_RNA)
where:
Base-Base interactions energy: -1742.424
where: short stacking energy: -752.901
Base-Backbone interact. energy: 1.788
local terms energy: -772.786712
where:
bonds (distance) C4'-P energy: -152.352
bonds (distance) P-C4' energy: -136.303
flat angles C4'-P-C4' energy: -158.806
flat angles P-C4'-P energy: -110.897
tors. eta vs tors. theta energy: -214.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -2321.418522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.418522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.418522 (E_RNA)
where:
Base-Base interactions energy: -1559.620
where: short stacking energy: -662.918
Base-Backbone interact. energy: -0.370
local terms energy: -761.427868
where:
bonds (distance) C4'-P energy: -150.804
bonds (distance) P-C4' energy: -140.469
flat angles C4'-P-C4' energy: -170.028
flat angles P-C4'-P energy: -105.485
tors. eta vs tors. theta energy: -194.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -2200.326576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.326576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.326576 (E_RNA)
where:
Base-Base interactions energy: -1524.982
where: short stacking energy: -603.610
Base-Backbone interact. energy: -1.231
local terms energy: -674.114337
where:
bonds (distance) C4'-P energy: -129.763
bonds (distance) P-C4' energy: -144.285
flat angles C4'-P-C4' energy: -154.510
flat angles P-C4'-P energy: -99.982
tors. eta vs tors. theta energy: -145.575
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: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -2072.073353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.073353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.073353 (E_RNA)
where:
Base-Base interactions energy: -1371.173
where: short stacking energy: -585.966
Base-Backbone interact. energy: -1.671
local terms energy: -699.229437
where:
bonds (distance) C4'-P energy: -127.047
bonds (distance) P-C4' energy: -150.823
flat angles C4'-P-C4' energy: -162.309
flat angles P-C4'-P energy: -96.021
tors. eta vs tors. theta energy: -163.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1950.448139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.448139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.448139 (E_RNA)
where:
Base-Base interactions energy: -1324.853
where: short stacking energy: -572.393
Base-Backbone interact. energy: 0.785
local terms energy: -626.379919
where:
bonds (distance) C4'-P energy: -122.270
bonds (distance) P-C4' energy: -113.176
flat angles C4'-P-C4' energy: -151.614
flat angles P-C4'-P energy: -92.218
tors. eta vs tors. theta energy: -147.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1662.502001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.502001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.502001 (E_RNA)
where:
Base-Base interactions energy: -1090.901
where: short stacking energy: -498.617
Base-Backbone interact. energy: -0.944
local terms energy: -570.656906
where:
bonds (distance) C4'-P energy: -124.818
bonds (distance) P-C4' energy: -137.819
flat angles C4'-P-C4' energy: -118.779
flat angles P-C4'-P energy: -80.164
tors. eta vs tors. theta energy: -109.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1475.206915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.206915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.206915 (E_RNA)
where:
Base-Base interactions energy: -903.509
where: short stacking energy: -437.787
Base-Backbone interact. energy: 2.809
local terms energy: -574.507088
where:
bonds (distance) C4'-P energy: -120.019
bonds (distance) P-C4' energy: -140.586
flat angles C4'-P-C4' energy: -129.992
flat angles P-C4'-P energy: -79.350
tors. eta vs tors. theta energy: -104.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1014.444322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.444322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.444322 (E_RNA)
where:
Base-Base interactions energy: -552.494
where: short stacking energy: -290.811
Base-Backbone interact. energy: -3.057
local terms energy: -458.893132
where:
bonds (distance) C4'-P energy: -108.169
bonds (distance) P-C4' energy: -131.187
flat angles C4'-P-C4' energy: -125.188
flat angles P-C4'-P energy: -64.546
tors. eta vs tors. theta energy: -29.804
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: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -723.835424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.835424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.835424 (E_RNA)
where:
Base-Base interactions energy: -317.522
where: short stacking energy: -197.305
Base-Backbone interact. energy: -1.539
local terms energy: -404.774201
where:
bonds (distance) C4'-P energy: -139.586
bonds (distance) P-C4' energy: -122.713
flat angles C4'-P-C4' energy: -100.063
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: 7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -588.418571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.418571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.418571 (E_RNA)
where:
Base-Base interactions energy: -197.540
where: short stacking energy: -145.269
Base-Backbone interact. energy: 7.989
local terms energy: -398.867861
where:
bonds (distance) C4'-P energy: -129.497
bonds (distance) P-C4' energy: -109.918
flat angles C4'-P-C4' energy: -127.500
flat angles P-C4'-P energy: -53.398
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: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -2524.029569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.029569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.029569 (E_RNA)
where:
Base-Base interactions energy: -1719.385
where: short stacking energy: -740.444
Base-Backbone interact. energy: -3.092
local terms energy: -801.552123
where:
bonds (distance) C4'-P energy: -154.882
bonds (distance) P-C4' energy: -149.284
flat angles C4'-P-C4' energy: -165.486
flat angles P-C4'-P energy: -111.095
tors. eta vs tors. theta energy: -220.804
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: 4
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -2329.086026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.086026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.086026 (E_RNA)
where:
Base-Base interactions energy: -1564.908
where: short stacking energy: -685.049
Base-Backbone interact. energy: -1.530
local terms energy: -762.647737
where:
bonds (distance) C4'-P energy: -135.388
bonds (distance) P-C4' energy: -138.324
flat angles C4'-P-C4' energy: -165.874
flat angles P-C4'-P energy: -124.608
tors. eta vs tors. theta energy: -198.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -2195.052014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.052014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.052014 (E_RNA)
where:
Base-Base interactions energy: -1536.126
where: short stacking energy: -567.516
Base-Backbone interact. energy: 1.970
local terms energy: -660.896295
where:
bonds (distance) C4'-P energy: -141.535
bonds (distance) P-C4' energy: -121.795
flat angles C4'-P-C4' energy: -146.863
flat angles P-C4'-P energy: -91.752
tors. eta vs tors. theta energy: -158.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -2055.501779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.501779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.501779 (E_RNA)
where:
Base-Base interactions energy: -1355.218
where: short stacking energy: -621.165
Base-Backbone interact. energy: -2.401
local terms energy: -697.882603
where:
bonds (distance) C4'-P energy: -132.887
bonds (distance) P-C4' energy: -142.901
flat angles C4'-P-C4' energy: -167.780
flat angles P-C4'-P energy: -93.723
tors. eta vs tors. theta energy: -160.591
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: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1863.215948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.215948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.215948 (E_RNA)
where:
Base-Base interactions energy: -1203.151
where: short stacking energy: -518.358
Base-Backbone interact. energy: -7.306
local terms energy: -652.759298
where:
bonds (distance) C4'-P energy: -147.832
bonds (distance) P-C4' energy: -134.889
flat angles C4'-P-C4' energy: -142.704
flat angles P-C4'-P energy: -91.976
tors. eta vs tors. theta energy: -135.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1652.428423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.428423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.428423 (E_RNA)
where:
Base-Base interactions energy: -1045.316
where: short stacking energy: -478.588
Base-Backbone interact. energy: -4.682
local terms energy: -602.430265
where:
bonds (distance) C4'-P energy: -136.226
bonds (distance) P-C4' energy: -131.429
flat angles C4'-P-C4' energy: -140.174
flat angles P-C4'-P energy: -83.589
tors. eta vs tors. theta energy: -111.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1476.538110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.538110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.538110 (E_RNA)
where:
Base-Base interactions energy: -973.044
where: short stacking energy: -441.241
Base-Backbone interact. energy: -5.224
local terms energy: -498.270374
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -126.865
flat angles C4'-P-C4' energy: -99.497
flat angles P-C4'-P energy: -79.769
tors. eta vs tors. theta energy: -103.315
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: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1038.413413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.413413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.413413 (E_RNA)
where:
Base-Base interactions energy: -584.474
where: short stacking energy: -291.084
Base-Backbone interact. energy: 3.632
local terms energy: -457.571388
where:
bonds (distance) C4'-P energy: -122.900
bonds (distance) P-C4' energy: -119.882
flat angles C4'-P-C4' energy: -129.869
flat angles P-C4'-P energy: -59.925
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -687.859487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.859487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.859487 (E_RNA)
where:
Base-Base interactions energy: -281.208
where: short stacking energy: -179.348
Base-Backbone interact. energy: 8.436
local terms energy: -415.086765
where:
bonds (distance) C4'-P energy: -135.139
bonds (distance) P-C4' energy: -130.215
flat angles C4'-P-C4' energy: -102.169
flat angles P-C4'-P energy: -51.517
tors. eta vs tors. theta energy: 3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -547.976540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.976540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.976540 (E_RNA)
where:
Base-Base interactions energy: -178.432
where: short stacking energy: -136.342
Base-Backbone interact. energy: -0.578
local terms energy: -368.966383
where:
bonds (distance) C4'-P energy: -109.406
bonds (distance) P-C4' energy: -128.191
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -50.267
tors. eta vs tors. theta energy: 38.246
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: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -2530.015820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.015820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.015820 (E_RNA)
where:
Base-Base interactions energy: -1752.915
where: short stacking energy: -730.802
Base-Backbone interact. energy: 2.811
local terms energy: -779.911064
where:
bonds (distance) C4'-P energy: -139.158
bonds (distance) P-C4' energy: -141.213
flat angles C4'-P-C4' energy: -160.840
flat angles P-C4'-P energy: -119.567
tors. eta vs tors. theta energy: -219.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -2373.268339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.268339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.268339 (E_RNA)
where:
Base-Base interactions energy: -1589.282
where: short stacking energy: -699.294
Base-Backbone interact. energy: -5.627
local terms energy: -778.359341
where:
bonds (distance) C4'-P energy: -140.313
bonds (distance) P-C4' energy: -155.106
flat angles C4'-P-C4' energy: -168.786
flat angles P-C4'-P energy: -102.068
tors. eta vs tors. theta energy: -212.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -2211.416586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.416586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.416586 (E_RNA)
where:
Base-Base interactions energy: -1507.437
where: short stacking energy: -602.351
Base-Backbone interact. energy: 1.714
local terms energy: -705.693927
where:
bonds (distance) C4'-P energy: -155.525
bonds (distance) P-C4' energy: -137.857
flat angles C4'-P-C4' energy: -161.849
flat angles P-C4'-P energy: -94.053
tors. eta vs tors. theta energy: -156.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -2105.331665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.331665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.331665 (E_RNA)
where:
Base-Base interactions energy: -1400.485
where: short stacking energy: -584.627
Base-Backbone interact. energy: 0.680
local terms energy: -705.527341
where:
bonds (distance) C4'-P energy: -137.674
bonds (distance) P-C4' energy: -151.447
flat angles C4'-P-C4' energy: -158.459
flat angles P-C4'-P energy: -95.356
tors. eta vs tors. theta energy: -162.591
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1897.042445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.042445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.042445 (E_RNA)
where:
Base-Base interactions energy: -1267.687
where: short stacking energy: -532.741
Base-Backbone interact. energy: -0.453
local terms energy: -628.902592
where:
bonds (distance) C4'-P energy: -133.725
bonds (distance) P-C4' energy: -147.027
flat angles C4'-P-C4' energy: -130.543
flat angles P-C4'-P energy: -90.878
tors. eta vs tors. theta energy: -126.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1625.712277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.712277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.712277 (E_RNA)
where:
Base-Base interactions energy: -1021.873
where: short stacking energy: -462.591
Base-Backbone interact. energy: -4.794
local terms energy: -599.044922
where:
bonds (distance) C4'-P energy: -150.628
bonds (distance) P-C4' energy: -124.835
flat angles C4'-P-C4' energy: -127.536
flat angles P-C4'-P energy: -79.918
tors. eta vs tors. theta energy: -116.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1469.415839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.415839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.415839 (E_RNA)
where:
Base-Base interactions energy: -906.739
where: short stacking energy: -422.443
Base-Backbone interact. energy: -2.596
local terms energy: -560.081264
where:
bonds (distance) C4'-P energy: -131.935
bonds (distance) P-C4' energy: -119.827
flat angles C4'-P-C4' energy: -130.601
flat angles P-C4'-P energy: -86.853
tors. eta vs tors. theta energy: -90.866
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: 7
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1097.831811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.831811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.831811 (E_RNA)
where:
Base-Base interactions energy: -615.045
where: short stacking energy: -303.305
Base-Backbone interact. energy: 2.864
local terms energy: -485.650729
where:
bonds (distance) C4'-P energy: -116.370
bonds (distance) P-C4' energy: -120.714
flat angles C4'-P-C4' energy: -130.762
flat angles P-C4'-P energy: -74.907
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -679.713723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.713723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.713723 (E_RNA)
where:
Base-Base interactions energy: -269.959
where: short stacking energy: -183.768
Base-Backbone interact. energy: -4.783
local terms energy: -404.971775
where:
bonds (distance) C4'-P energy: -124.521
bonds (distance) P-C4' energy: -127.885
flat angles C4'-P-C4' energy: -100.258
flat angles P-C4'-P energy: -55.564
tors. eta vs tors. theta energy: 3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -563.040053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.040053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.040053 (E_RNA)
where:
Base-Base interactions energy: -203.518
where: short stacking energy: -179.239
Base-Backbone interact. energy: 2.827
local terms energy: -362.348897
where:
bonds (distance) C4'-P energy: -116.140
bonds (distance) P-C4' energy: -112.068
flat angles C4'-P-C4' energy: -112.040
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: 22.158
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: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -2523.199685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.199685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.199685 (E_RNA)
where:
Base-Base interactions energy: -1711.303
where: short stacking energy: -717.268
Base-Backbone interact. energy: -0.476
local terms energy: -811.420460
where:
bonds (distance) C4'-P energy: -164.645
bonds (distance) P-C4' energy: -158.746
flat angles C4'-P-C4' energy: -171.591
flat angles P-C4'-P energy: -113.152
tors. eta vs tors. theta energy: -203.286
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: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -2352.504308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.504308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.504308 (E_RNA)
where:
Base-Base interactions energy: -1578.421
where: short stacking energy: -691.122
Base-Backbone interact. energy: 1.823
local terms energy: -775.906021
where:
bonds (distance) C4'-P energy: -137.821
bonds (distance) P-C4' energy: -155.392
flat angles C4'-P-C4' energy: -162.537
flat angles P-C4'-P energy: -111.612
tors. eta vs tors. theta energy: -208.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -2144.263253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2144.263253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2144.263253 (E_RNA)
where:
Base-Base interactions energy: -1438.806
where: short stacking energy: -563.609
Base-Backbone interact. energy: -5.811
local terms energy: -699.646926
where:
bonds (distance) C4'-P energy: -141.068
bonds (distance) P-C4' energy: -159.439
flat angles C4'-P-C4' energy: -150.508
flat angles P-C4'-P energy: -91.408
tors. eta vs tors. theta energy: -157.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -2073.739101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.739101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.739101 (E_RNA)
where:
Base-Base interactions energy: -1341.543
where: short stacking energy: -581.612
Base-Backbone interact. energy: -3.124
local terms energy: -729.072382
where:
bonds (distance) C4'-P energy: -125.173
bonds (distance) P-C4' energy: -152.708
flat angles C4'-P-C4' energy: -162.779
flat angles P-C4'-P energy: -104.456
tors. eta vs tors. theta energy: -183.957
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: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1840.338004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.338004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.338004 (E_RNA)
where:
Base-Base interactions energy: -1172.029
where: short stacking energy: -502.142
Base-Backbone interact. energy: 1.161
local terms energy: -669.469904
where:
bonds (distance) C4'-P energy: -142.761
bonds (distance) P-C4' energy: -154.499
flat angles C4'-P-C4' energy: -148.359
flat angles P-C4'-P energy: -91.090
tors. eta vs tors. theta energy: -132.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1610.408916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.408916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.408916 (E_RNA)
where:
Base-Base interactions energy: -1023.201
where: short stacking energy: -447.216
Base-Backbone interact. energy: -2.009
local terms energy: -585.198410
where:
bonds (distance) C4'-P energy: -133.642
bonds (distance) P-C4' energy: -138.494
flat angles C4'-P-C4' energy: -129.903
flat angles P-C4'-P energy: -89.597
tors. eta vs tors. theta energy: -93.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1461.288602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.288602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.288602 (E_RNA)
where:
Base-Base interactions energy: -908.227
where: short stacking energy: -427.398
Base-Backbone interact. energy: 4.957
local terms energy: -558.018739
where:
bonds (distance) C4'-P energy: -134.680
bonds (distance) P-C4' energy: -117.467
flat angles C4'-P-C4' energy: -124.760
flat angles P-C4'-P energy: -82.200
tors. eta vs tors. theta energy: -98.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1032.952598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.952598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.952598 (E_RNA)
where:
Base-Base interactions energy: -565.785
where: short stacking energy: -299.556
Base-Backbone interact. energy: 0.300
local terms energy: -467.468298
where:
bonds (distance) C4'-P energy: -115.542
bonds (distance) P-C4' energy: -138.570
flat angles C4'-P-C4' energy: -114.631
flat angles P-C4'-P energy: -68.234
tors. eta vs tors. theta energy: -30.491
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: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -690.674782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.674782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.674782 (E_RNA)
where:
Base-Base interactions energy: -258.804
where: short stacking energy: -166.505
Base-Backbone interact. energy: -0.397
local terms energy: -431.473136
where:
bonds (distance) C4'-P energy: -114.999
bonds (distance) P-C4' energy: -145.850
flat angles C4'-P-C4' energy: -121.211
flat angles P-C4'-P energy: -61.043
tors. eta vs tors. theta energy: 11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -623.497698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.497698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.497698 (E_RNA)
where:
Base-Base interactions energy: -239.680
where: short stacking energy: -159.762
Base-Backbone interact. energy: 0.417
local terms energy: -384.234566
where:
bonds (distance) C4'-P energy: -116.886
bonds (distance) P-C4' energy: -134.561
flat angles C4'-P-C4' energy: -86.887
flat angles P-C4'-P energy: -70.360
tors. eta vs tors. theta energy: 24.459
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: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -2539.103593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2539.103593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2539.103593 (E_RNA)
where:
Base-Base interactions energy: -1727.283
where: short stacking energy: -721.196
Base-Backbone interact. energy: -3.369
local terms energy: -808.451779
where:
bonds (distance) C4'-P energy: -158.798
bonds (distance) P-C4' energy: -147.215
flat angles C4'-P-C4' energy: -170.639
flat angles P-C4'-P energy: -122.399
tors. eta vs tors. theta energy: -209.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -2319.623258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.623258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.623258 (E_RNA)
where:
Base-Base interactions energy: -1569.701
where: short stacking energy: -693.800
Base-Backbone interact. energy: -0.292
local terms energy: -749.629653
where:
bonds (distance) C4'-P energy: -142.559
bonds (distance) P-C4' energy: -142.731
flat angles C4'-P-C4' energy: -161.792
flat angles P-C4'-P energy: -106.284
tors. eta vs tors. theta energy: -196.264
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: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -2152.334875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2152.334875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2152.334875 (E_RNA)
where:
Base-Base interactions energy: -1485.941
where: short stacking energy: -581.149
Base-Backbone interact. energy: -2.511
local terms energy: -663.883170
where:
bonds (distance) C4'-P energy: -125.729
bonds (distance) P-C4' energy: -129.531
flat angles C4'-P-C4' energy: -153.911
flat angles P-C4'-P energy: -101.908
tors. eta vs tors. theta energy: -152.804
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: 78
Temperature: 1.050000
Total energy: -2091.219945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.219945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.219945 (E_RNA)
where:
Base-Base interactions energy: -1379.207
where: short stacking energy: -620.123
Base-Backbone interact. energy: -2.748
local terms energy: -709.265232
where:
bonds (distance) C4'-P energy: -129.305
bonds (distance) P-C4' energy: -152.425
flat angles C4'-P-C4' energy: -149.657
flat angles P-C4'-P energy: -110.169
tors. eta vs tors. theta energy: -167.709
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: 78
Temperature: 1.100000
Total energy: -1887.016662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.016662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.016662 (E_RNA)
where:
Base-Base interactions energy: -1251.039
where: short stacking energy: -507.437
Base-Backbone interact. energy: 0.146
local terms energy: -636.123327
where:
bonds (distance) C4'-P energy: -127.577
bonds (distance) P-C4' energy: -141.976
flat angles C4'-P-C4' energy: -135.205
flat angles P-C4'-P energy: -94.926
tors. eta vs tors. theta energy: -136.438
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: 10
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1642.357080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.357080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.357080 (E_RNA)
where:
Base-Base interactions energy: -1050.395
where: short stacking energy: -476.800
Base-Backbone interact. energy: -2.951
local terms energy: -589.010413
where:
bonds (distance) C4'-P energy: -119.060
bonds (distance) P-C4' energy: -124.117
flat angles C4'-P-C4' energy: -147.755
flat angles P-C4'-P energy: -84.707
tors. eta vs tors. theta energy: -113.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1508.280963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.280963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.280963 (E_RNA)
where:
Base-Base interactions energy: -937.268
where: short stacking energy: -430.686
Base-Backbone interact. energy: -0.269
local terms energy: -570.743847
where:
bonds (distance) C4'-P energy: -117.261
bonds (distance) P-C4' energy: -124.676
flat angles C4'-P-C4' energy: -133.274
flat angles P-C4'-P energy: -79.048
tors. eta vs tors. theta energy: -116.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -967.725711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.725711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.725711 (E_RNA)
where:
Base-Base interactions energy: -515.504
where: short stacking energy: -251.211
Base-Backbone interact. energy: 1.990
local terms energy: -454.212323
where:
bonds (distance) C4'-P energy: -110.066
bonds (distance) P-C4' energy: -149.490
flat angles C4'-P-C4' energy: -122.600
flat angles P-C4'-P energy: -67.024
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: 9, replica: 1
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -713.936640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.936640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.936640 (E_RNA)
where:
Base-Base interactions energy: -299.712
where: short stacking energy: -208.229
Base-Backbone interact. energy: -1.076
local terms energy: -413.148398
where:
bonds (distance) C4'-P energy: -117.572
bonds (distance) P-C4' energy: -118.052
flat angles C4'-P-C4' energy: -96.629
flat angles P-C4'-P energy: -90.480
tors. eta vs tors. theta energy: 9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -651.856302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.856302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.856302 (E_RNA)
where:
Base-Base interactions energy: -260.348
where: short stacking energy: -164.993
Base-Backbone interact. energy: 4.390
local terms energy: -395.898687
where:
bonds (distance) C4'-P energy: -119.452
bonds (distance) P-C4' energy: -128.657
flat angles C4'-P-C4' energy: -116.776
flat angles P-C4'-P energy: -50.058
tors. eta vs tors. theta energy: 19.045
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: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -2538.913937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.913937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.913937 (E_RNA)
where:
Base-Base interactions energy: -1748.595
where: short stacking energy: -732.446
Base-Backbone interact. energy: -3.637
local terms energy: -786.682487
where:
bonds (distance) C4'-P energy: -141.263
bonds (distance) P-C4' energy: -158.458
flat angles C4'-P-C4' energy: -168.350
flat angles P-C4'-P energy: -107.417
tors. eta vs tors. theta energy: -211.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -2305.781250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.781250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.781250 (E_RNA)
where:
Base-Base interactions energy: -1532.669
where: short stacking energy: -679.294
Base-Backbone interact. energy: -1.359
local terms energy: -771.753808
where:
bonds (distance) C4'-P energy: -150.906
bonds (distance) P-C4' energy: -148.547
flat angles C4'-P-C4' energy: -171.205
flat angles P-C4'-P energy: -96.751
tors. eta vs tors. theta energy: -204.345
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: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -2169.764581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.764581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.764581 (E_RNA)
where:
Base-Base interactions energy: -1466.949
where: short stacking energy: -605.929
Base-Backbone interact. energy: -3.162
local terms energy: -699.652850
where:
bonds (distance) C4'-P energy: -137.048
bonds (distance) P-C4' energy: -142.652
flat angles C4'-P-C4' energy: -153.860
flat angles P-C4'-P energy: -102.728
tors. eta vs tors. theta energy: -163.365
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: 4, replica: 9
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -2079.290486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.290486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.290486 (E_RNA)
where:
Base-Base interactions energy: -1374.609
where: short stacking energy: -585.453
Base-Backbone interact. energy: -2.378
local terms energy: -702.303725
where:
bonds (distance) C4'-P energy: -141.042
bonds (distance) P-C4' energy: -142.498
flat angles C4'-P-C4' energy: -137.378
flat angles P-C4'-P energy: -102.926
tors. eta vs tors. theta energy: -178.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1845.254848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.254848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.254848 (E_RNA)
where:
Base-Base interactions energy: -1201.516
where: short stacking energy: -504.864
Base-Backbone interact. energy: 2.020
local terms energy: -645.758203
where:
bonds (distance) C4'-P energy: -119.626
bonds (distance) P-C4' energy: -141.044
flat angles C4'-P-C4' energy: -144.736
flat angles P-C4'-P energy: -97.317
tors. eta vs tors. theta energy: -143.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1658.390659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.390659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.390659 (E_RNA)
where:
Base-Base interactions energy: -1031.195
where: short stacking energy: -467.519
Base-Backbone interact. energy: -0.294
local terms energy: -626.901826
where:
bonds (distance) C4'-P energy: -134.777
bonds (distance) P-C4' energy: -140.433
flat angles C4'-P-C4' energy: -150.346
flat angles P-C4'-P energy: -82.872
tors. eta vs tors. theta energy: -118.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -1412.168338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.168338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.168338 (E_RNA)
where:
Base-Base interactions energy: -905.227
where: short stacking energy: -400.835
Base-Backbone interact. energy: -3.009
local terms energy: -503.932826
where:
bonds (distance) C4'-P energy: -107.681
bonds (distance) P-C4' energy: -119.807
flat angles C4'-P-C4' energy: -140.205
flat angles P-C4'-P energy: -69.746
tors. eta vs tors. theta energy: -66.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -986.971231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.971231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.971231 (E_RNA)
where:
Base-Base interactions energy: -523.312
where: short stacking energy: -266.503
Base-Backbone interact. energy: 2.524
local terms energy: -466.183010
where:
bonds (distance) C4'-P energy: -110.317
bonds (distance) P-C4' energy: -139.953
flat angles C4'-P-C4' energy: -135.913
flat angles P-C4'-P energy: -61.000
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -711.007613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.007613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.007613 (E_RNA)
where:
Base-Base interactions energy: -298.178
where: short stacking energy: -181.472
Base-Backbone interact. energy: 0.116
local terms energy: -412.945368
where:
bonds (distance) C4'-P energy: -114.263
bonds (distance) P-C4' energy: -149.389
flat angles C4'-P-C4' energy: -106.743
flat angles P-C4'-P energy: -49.093
tors. eta vs tors. theta energy: 6.543
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: 79
Temperature: 1.350000
Total energy: -608.731742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.731742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.731742 (E_RNA)
where:
Base-Base interactions energy: -247.384
where: short stacking energy: -159.940
Base-Backbone interact. energy: 0.676
local terms energy: -362.023663
where:
bonds (distance) C4'-P energy: -91.664
bonds (distance) P-C4' energy: -125.788
flat angles C4'-P-C4' energy: -110.036
flat angles P-C4'-P energy: -69.476
tors. eta vs tors. theta energy: 34.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -2556.353833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.353833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.353833 (E_RNA)
where:
Base-Base interactions energy: -1729.894
where: short stacking energy: -711.902
Base-Backbone interact. energy: -0.109
local terms energy: -826.350887
where:
bonds (distance) C4'-P energy: -159.107
bonds (distance) P-C4' energy: -168.740
flat angles C4'-P-C4' energy: -163.812
flat angles P-C4'-P energy: -123.133
tors. eta vs tors. theta energy: -211.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -2277.640732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.640732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.640732 (E_RNA)
where:
Base-Base interactions energy: -1521.589
where: short stacking energy: -686.522
Base-Backbone interact. energy: -3.884
local terms energy: -752.167330
where:
bonds (distance) C4'-P energy: -137.210
bonds (distance) P-C4' energy: -142.429
flat angles C4'-P-C4' energy: -163.107
flat angles P-C4'-P energy: -115.587
tors. eta vs tors. theta energy: -193.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -2186.358541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2186.358541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2186.358541 (E_RNA)
where:
Base-Base interactions energy: -1512.099
where: short stacking energy: -557.700
Base-Backbone interact. energy: -1.874
local terms energy: -672.385409
where:
bonds (distance) C4'-P energy: -133.442
bonds (distance) P-C4' energy: -138.722
flat angles C4'-P-C4' energy: -152.231
flat angles P-C4'-P energy: -87.932
tors. eta vs tors. theta energy: -160.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -2057.099099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.099099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.099099 (E_RNA)
where:
Base-Base interactions energy: -1368.325
where: short stacking energy: -584.483
Base-Backbone interact. energy: -0.224
local terms energy: -688.550287
where:
bonds (distance) C4'-P energy: -127.104
bonds (distance) P-C4' energy: -151.474
flat angles C4'-P-C4' energy: -151.416
flat angles P-C4'-P energy: -89.219
tors. eta vs tors. theta energy: -169.338
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: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1869.958181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.958181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.958181 (E_RNA)
where:
Base-Base interactions energy: -1224.235
where: short stacking energy: -511.055
Base-Backbone interact. energy: -0.929
local terms energy: -644.794468
where:
bonds (distance) C4'-P energy: -138.325
bonds (distance) P-C4' energy: -140.950
flat angles C4'-P-C4' energy: -143.144
flat angles P-C4'-P energy: -93.678
tors. eta vs tors. theta energy: -128.697
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: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1655.753664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.753664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.753664 (E_RNA)
where:
Base-Base interactions energy: -1047.040
where: short stacking energy: -457.706
Base-Backbone interact. energy: -3.374
local terms energy: -605.340077
where:
bonds (distance) C4'-P energy: -121.251
bonds (distance) P-C4' energy: -148.175
flat angles C4'-P-C4' energy: -137.015
flat angles P-C4'-P energy: -79.071
tors. eta vs tors. theta energy: -119.829
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: 8
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1395.776065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.776065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.776065 (E_RNA)
where:
Base-Base interactions energy: -880.168
where: short stacking energy: -391.504
Base-Backbone interact. energy: 0.778
local terms energy: -516.385942
where:
bonds (distance) C4'-P energy: -133.286
bonds (distance) P-C4' energy: -131.024
flat angles C4'-P-C4' energy: -116.453
flat angles P-C4'-P energy: -66.085
tors. eta vs tors. theta energy: -69.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1019.471912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.471912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.471912 (E_RNA)
where:
Base-Base interactions energy: -572.906
where: short stacking energy: -321.969
Base-Backbone interact. energy: -0.999
local terms energy: -445.566719
where:
bonds (distance) C4'-P energy: -131.039
bonds (distance) P-C4' energy: -129.916
flat angles C4'-P-C4' energy: -109.132
flat angles P-C4'-P energy: -37.890
tors. eta vs tors. theta energy: -37.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -679.268530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.268530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.268530 (E_RNA)
where:
Base-Base interactions energy: -272.036
where: short stacking energy: -191.164
Base-Backbone interact. energy: -0.897
local terms energy: -406.335919
where:
bonds (distance) C4'-P energy: -120.826
bonds (distance) P-C4' energy: -123.258
flat angles C4'-P-C4' energy: -93.620
flat angles P-C4'-P energy: -69.325
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: 80
Temperature: 1.350000
Total energy: -654.492824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.492824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.492824 (E_RNA)
where:
Base-Base interactions energy: -258.810
where: short stacking energy: -164.781
Base-Backbone interact. energy: -2.427
local terms energy: -393.255824
where:
bonds (distance) C4'-P energy: -129.492
bonds (distance) P-C4' energy: -133.448
flat angles C4'-P-C4' energy: -114.930
flat angles P-C4'-P energy: -52.913
tors. eta vs tors. theta energy: 37.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -2564.873853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.873853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.873853 (E_RNA)
where:
Base-Base interactions energy: -1759.948
where: short stacking energy: -746.848
Base-Backbone interact. energy: -2.637
local terms energy: -802.288831
where:
bonds (distance) C4'-P energy: -154.198
bonds (distance) P-C4' energy: -144.028
flat angles C4'-P-C4' energy: -175.538
flat angles P-C4'-P energy: -110.126
tors. eta vs tors. theta energy: -218.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -2268.624550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.624550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.624550 (E_RNA)
where:
Base-Base interactions energy: -1512.747
where: short stacking energy: -677.725
Base-Backbone interact. energy: -4.854
local terms energy: -751.023886
where:
bonds (distance) C4'-P energy: -140.719
bonds (distance) P-C4' energy: -152.282
flat angles C4'-P-C4' energy: -157.320
flat angles P-C4'-P energy: -103.137
tors. eta vs tors. theta energy: -197.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -2190.478209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.478209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.478209 (E_RNA)
where:
Base-Base interactions energy: -1489.089
where: short stacking energy: -606.780
Base-Backbone interact. energy: -4.083
local terms energy: -697.306193
where:
bonds (distance) C4'-P energy: -140.907
bonds (distance) P-C4' energy: -143.456
flat angles C4'-P-C4' energy: -161.697
flat angles P-C4'-P energy: -82.636
tors. eta vs tors. theta energy: -168.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -2044.112884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.112884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.112884 (E_RNA)
where:
Base-Base interactions energy: -1374.652
where: short stacking energy: -575.875
Base-Backbone interact. energy: -0.872
local terms energy: -668.588750
where:
bonds (distance) C4'-P energy: -117.833
bonds (distance) P-C4' energy: -148.324
flat angles C4'-P-C4' energy: -151.274
flat angles P-C4'-P energy: -81.701
tors. eta vs tors. theta energy: -169.456
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: 81
Temperature: 1.100000
Total energy: -1866.514992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.514992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.514992 (E_RNA)
where:
Base-Base interactions energy: -1236.039
where: short stacking energy: -530.571
Base-Backbone interact. energy: -3.539
local terms energy: -626.937534
where:
bonds (distance) C4'-P energy: -121.661
bonds (distance) P-C4' energy: -135.717
flat angles C4'-P-C4' energy: -139.272
flat angles P-C4'-P energy: -95.454
tors. eta vs tors. theta energy: -134.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1691.851064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.851064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.851064 (E_RNA)
where:
Base-Base interactions energy: -1110.133
where: short stacking energy: -509.673
Base-Backbone interact. energy: 2.645
local terms energy: -584.362600
where:
bonds (distance) C4'-P energy: -135.392
bonds (distance) P-C4' energy: -118.289
flat angles C4'-P-C4' energy: -129.662
flat angles P-C4'-P energy: -67.153
tors. eta vs tors. theta energy: -133.866
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: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1359.363106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.363106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.363106 (E_RNA)
where:
Base-Base interactions energy: -845.741
where: short stacking energy: -382.490
Base-Backbone interact. energy: 2.976
local terms energy: -516.598099
where:
bonds (distance) C4'-P energy: -116.354
bonds (distance) P-C4' energy: -122.571
flat angles C4'-P-C4' energy: -129.621
flat angles P-C4'-P energy: -63.359
tors. eta vs tors. theta energy: -84.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -987.115891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.115891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.115891 (E_RNA)
where:
Base-Base interactions energy: -544.471
where: short stacking energy: -231.655
Base-Backbone interact. energy: 1.168
local terms energy: -443.813272
where:
bonds (distance) C4'-P energy: -111.856
bonds (distance) P-C4' energy: -141.214
flat angles C4'-P-C4' energy: -121.881
flat angles P-C4'-P energy: -61.892
tors. eta vs tors. theta energy: -6.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -699.184941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.184941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.184941 (E_RNA)
where:
Base-Base interactions energy: -288.573
where: short stacking energy: -176.826
Base-Backbone interact. energy: 5.342
local terms energy: -415.953744
where:
bonds (distance) C4'-P energy: -119.914
bonds (distance) P-C4' energy: -129.865
flat angles C4'-P-C4' energy: -93.515
flat angles P-C4'-P energy: -78.458
tors. eta vs tors. theta energy: 5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -569.504153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.504153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.504153 (E_RNA)
where:
Base-Base interactions energy: -201.558
where: short stacking energy: -128.215
Base-Backbone interact. energy: 0.128
local terms energy: -368.074656
where:
bonds (distance) C4'-P energy: -125.576
bonds (distance) P-C4' energy: -130.247
flat angles C4'-P-C4' energy: -117.296
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: 45.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -2533.439859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.439859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.439859 (E_RNA)
where:
Base-Base interactions energy: -1736.726
where: short stacking energy: -713.628
Base-Backbone interact. energy: -0.374
local terms energy: -796.339618
where:
bonds (distance) C4'-P energy: -151.091
bonds (distance) P-C4' energy: -159.004
flat angles C4'-P-C4' energy: -155.706
flat angles P-C4'-P energy: -116.045
tors. eta vs tors. theta energy: -214.494
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: 4
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -2349.057492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.057492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.057492 (E_RNA)
where:
Base-Base interactions energy: -1544.319
where: short stacking energy: -692.043
Base-Backbone interact. energy: -4.091
local terms energy: -800.647608
where:
bonds (distance) C4'-P energy: -153.040
bonds (distance) P-C4' energy: -139.834
flat angles C4'-P-C4' energy: -178.131
flat angles P-C4'-P energy: -122.017
tors. eta vs tors. theta energy: -207.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -2203.562479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.562479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.562479 (E_RNA)
where:
Base-Base interactions energy: -1523.910
where: short stacking energy: -599.967
Base-Backbone interact. energy: -2.737
local terms energy: -676.915355
where:
bonds (distance) C4'-P energy: -130.780
bonds (distance) P-C4' energy: -150.946
flat angles C4'-P-C4' energy: -158.415
flat angles P-C4'-P energy: -70.539
tors. eta vs tors. theta energy: -166.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -2030.541154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.541154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.541154 (E_RNA)
where:
Base-Base interactions energy: -1334.176
where: short stacking energy: -581.434
Base-Backbone interact. energy: -4.567
local terms energy: -691.798174
where:
bonds (distance) C4'-P energy: -126.303
bonds (distance) P-C4' energy: -144.924
flat angles C4'-P-C4' energy: -159.711
flat angles P-C4'-P energy: -99.640
tors. eta vs tors. theta energy: -161.220
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: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1902.532815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.532815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.532815 (E_RNA)
where:
Base-Base interactions energy: -1254.853
where: short stacking energy: -540.456
Base-Backbone interact. energy: -0.960
local terms energy: -646.719782
where:
bonds (distance) C4'-P energy: -130.130
bonds (distance) P-C4' energy: -165.580
flat angles C4'-P-C4' energy: -120.037
flat angles P-C4'-P energy: -97.282
tors. eta vs tors. theta energy: -133.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1672.199946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.199946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.199946 (E_RNA)
where:
Base-Base interactions energy: -1055.826
where: short stacking energy: -465.170
Base-Backbone interact. energy: 0.801
local terms energy: -617.175027
where:
bonds (distance) C4'-P energy: -133.927
bonds (distance) P-C4' energy: -137.883
flat angles C4'-P-C4' energy: -146.168
flat angles P-C4'-P energy: -97.760
tors. eta vs tors. theta energy: -101.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1397.377117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.377117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.377117 (E_RNA)
where:
Base-Base interactions energy: -822.965
where: short stacking energy: -375.971
Base-Backbone interact. energy: 2.200
local terms energy: -576.612343
where:
bonds (distance) C4'-P energy: -122.882
bonds (distance) P-C4' energy: -142.950
flat angles C4'-P-C4' energy: -131.882
flat angles P-C4'-P energy: -87.622
tors. eta vs tors. theta energy: -91.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -935.199254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.199254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.199254 (E_RNA)
where:
Base-Base interactions energy: -468.546
where: short stacking energy: -267.007
Base-Backbone interact. energy: -2.548
local terms energy: -464.105523
where:
bonds (distance) C4'-P energy: -117.377
bonds (distance) P-C4' energy: -133.912
flat angles C4'-P-C4' energy: -121.501
flat angles P-C4'-P energy: -73.530
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -726.161589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.161589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.161589 (E_RNA)
where:
Base-Base interactions energy: -308.054
where: short stacking energy: -206.556
Base-Backbone interact. energy: 4.675
local terms energy: -422.782323
where:
bonds (distance) C4'-P energy: -121.322
bonds (distance) P-C4' energy: -134.178
flat angles C4'-P-C4' energy: -110.357
flat angles P-C4'-P energy: -54.750
tors. eta vs tors. theta energy: -2.176
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: 82
Temperature: 1.350000
Total energy: -561.282170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.282170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.282170 (E_RNA)
where:
Base-Base interactions energy: -181.713
where: short stacking energy: -137.669
Base-Backbone interact. energy: 1.610
local terms energy: -381.179452
where:
bonds (distance) C4'-P energy: -118.084
bonds (distance) P-C4' energy: -131.604
flat angles C4'-P-C4' energy: -108.654
flat angles P-C4'-P energy: -69.722
tors. eta vs tors. theta energy: 46.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -2546.932791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.932791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.932791 (E_RNA)
where:
Base-Base interactions energy: -1745.573
where: short stacking energy: -727.340
Base-Backbone interact. energy: -1.649
local terms energy: -799.711091
where:
bonds (distance) C4'-P energy: -161.728
bonds (distance) P-C4' energy: -159.546
flat angles C4'-P-C4' energy: -158.223
flat angles P-C4'-P energy: -105.324
tors. eta vs tors. theta energy: -214.892
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: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -2335.190147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.190147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.190147 (E_RNA)
where:
Base-Base interactions energy: -1542.024
where: short stacking energy: -645.548
Base-Backbone interact. energy: -7.977
local terms energy: -785.190068
where:
bonds (distance) C4'-P energy: -164.371
bonds (distance) P-C4' energy: -147.509
flat angles C4'-P-C4' energy: -159.231
flat angles P-C4'-P energy: -106.367
tors. eta vs tors. theta energy: -207.712
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: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -2227.628589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.628589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.628589 (E_RNA)
where:
Base-Base interactions energy: -1526.008
where: short stacking energy: -571.904
Base-Backbone interact. energy: -3.781
local terms energy: -697.839664
where:
bonds (distance) C4'-P energy: -146.086
bonds (distance) P-C4' energy: -143.895
flat angles C4'-P-C4' energy: -149.734
flat angles P-C4'-P energy: -95.236
tors. eta vs tors. theta energy: -162.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -2048.456484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.456484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.456484 (E_RNA)
where:
Base-Base interactions energy: -1377.271
where: short stacking energy: -586.465
Base-Backbone interact. energy: -3.111
local terms energy: -668.073582
where:
bonds (distance) C4'-P energy: -126.527
bonds (distance) P-C4' energy: -149.714
flat angles C4'-P-C4' energy: -149.248
flat angles P-C4'-P energy: -85.591
tors. eta vs tors. theta energy: -156.993
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: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1815.082264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.082264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.082264 (E_RNA)
where:
Base-Base interactions energy: -1178.233
where: short stacking energy: -493.475
Base-Backbone interact. energy: -3.466
local terms energy: -633.383604
where:
bonds (distance) C4'-P energy: -124.734
bonds (distance) P-C4' energy: -138.952
flat angles C4'-P-C4' energy: -147.034
flat angles P-C4'-P energy: -79.594
tors. eta vs tors. theta energy: -143.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1603.281569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.281569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.281569 (E_RNA)
where:
Base-Base interactions energy: -1039.384
where: short stacking energy: -434.427
Base-Backbone interact. energy: -0.010
local terms energy: -563.887547
where:
bonds (distance) C4'-P energy: -112.729
bonds (distance) P-C4' energy: -129.350
flat angles C4'-P-C4' energy: -140.086
flat angles P-C4'-P energy: -82.244
tors. eta vs tors. theta energy: -99.480
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: 8
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1356.388311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.388311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.388311 (E_RNA)
where:
Base-Base interactions energy: -848.009
where: short stacking energy: -406.648
Base-Backbone interact. energy: -2.122
local terms energy: -506.257699
where:
bonds (distance) C4'-P energy: -100.967
bonds (distance) P-C4' energy: -146.332
flat angles C4'-P-C4' energy: -120.094
flat angles P-C4'-P energy: -56.314
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: 8, replica: 7
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -915.189991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.189991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.189991 (E_RNA)
where:
Base-Base interactions energy: -472.661
where: short stacking energy: -238.467
Base-Backbone interact. energy: -3.915
local terms energy: -438.614318
where:
bonds (distance) C4'-P energy: -113.394
bonds (distance) P-C4' energy: -137.062
flat angles C4'-P-C4' energy: -118.416
flat angles P-C4'-P energy: -72.740
tors. eta vs tors. theta energy: 2.998
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: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -726.015950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.015950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.015950 (E_RNA)
where:
Base-Base interactions energy: -292.902
where: short stacking energy: -209.376
Base-Backbone interact. energy: -2.374
local terms energy: -430.740659
where:
bonds (distance) C4'-P energy: -110.893
bonds (distance) P-C4' energy: -125.354
flat angles C4'-P-C4' energy: -124.562
flat angles P-C4'-P energy: -60.802
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -558.647418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.647418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.647418 (E_RNA)
where:
Base-Base interactions energy: -172.186
where: short stacking energy: -144.462
Base-Backbone interact. energy: -3.049
local terms energy: -383.412151
where:
bonds (distance) C4'-P energy: -141.651
bonds (distance) P-C4' energy: -118.558
flat angles C4'-P-C4' energy: -109.223
flat angles P-C4'-P energy: -59.504
tors. eta vs tors. theta energy: 45.524
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: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -2515.038963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.038963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.038963 (E_RNA)
where:
Base-Base interactions energy: -1723.193
where: short stacking energy: -727.258
Base-Backbone interact. energy: -2.873
local terms energy: -788.972835
where:
bonds (distance) C4'-P energy: -153.516
bonds (distance) P-C4' energy: -151.657
flat angles C4'-P-C4' energy: -160.554
flat angles P-C4'-P energy: -119.890
tors. eta vs tors. theta energy: -203.356
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: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -2337.216306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.216306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.216306 (E_RNA)
where:
Base-Base interactions energy: -1564.879
where: short stacking energy: -676.345
Base-Backbone interact. energy: -5.094
local terms energy: -767.242984
where:
bonds (distance) C4'-P energy: -141.168
bonds (distance) P-C4' energy: -144.520
flat angles C4'-P-C4' energy: -168.397
flat angles P-C4'-P energy: -104.896
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: 3, replica: 5
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -2191.411959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.411959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.411959 (E_RNA)
where:
Base-Base interactions energy: -1502.501
where: short stacking energy: -578.049
Base-Backbone interact. energy: -4.373
local terms energy: -684.538036
where:
bonds (distance) C4'-P energy: -133.876
bonds (distance) P-C4' energy: -155.134
flat angles C4'-P-C4' energy: -154.289
flat angles P-C4'-P energy: -95.670
tors. eta vs tors. theta energy: -145.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -2168.956848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.956848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.956848 (E_RNA)
where:
Base-Base interactions energy: -1451.806
where: short stacking energy: -615.098
Base-Backbone interact. energy: 3.638
local terms energy: -720.788656
where:
bonds (distance) C4'-P energy: -135.619
bonds (distance) P-C4' energy: -153.999
flat angles C4'-P-C4' energy: -161.593
flat angles P-C4'-P energy: -102.765
tors. eta vs tors. theta energy: -166.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1797.195963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.195963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.195963 (E_RNA)
where:
Base-Base interactions energy: -1175.512
where: short stacking energy: -535.842
Base-Backbone interact. energy: 5.590
local terms energy: -627.273771
where:
bonds (distance) C4'-P energy: -119.982
bonds (distance) P-C4' energy: -135.547
flat angles C4'-P-C4' energy: -137.226
flat angles P-C4'-P energy: -92.077
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: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1649.965034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.965034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.965034 (E_RNA)
where:
Base-Base interactions energy: -1050.962
where: short stacking energy: -465.344
Base-Backbone interact. energy: -0.508
local terms energy: -598.494523
where:
bonds (distance) C4'-P energy: -135.796
bonds (distance) P-C4' energy: -122.798
flat angles C4'-P-C4' energy: -136.983
flat angles P-C4'-P energy: -96.484
tors. eta vs tors. theta energy: -106.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1375.519143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.519143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.519143 (E_RNA)
where:
Base-Base interactions energy: -834.523
where: short stacking energy: -392.577
Base-Backbone interact. energy: 2.532
local terms energy: -543.528454
where:
bonds (distance) C4'-P energy: -138.832
bonds (distance) P-C4' energy: -117.942
flat angles C4'-P-C4' energy: -126.633
flat angles P-C4'-P energy: -81.693
tors. eta vs tors. theta energy: -78.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -951.603319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.603319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.603319 (E_RNA)
where:
Base-Base interactions energy: -487.095
where: short stacking energy: -260.184
Base-Backbone interact. energy: 6.148
local terms energy: -470.656187
where:
bonds (distance) C4'-P energy: -127.348
bonds (distance) P-C4' energy: -125.087
flat angles C4'-P-C4' energy: -127.327
flat angles P-C4'-P energy: -82.781
tors. eta vs tors. theta energy: -8.114
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: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -667.785774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.785774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.785774 (E_RNA)
where:
Base-Base interactions energy: -241.706
where: short stacking energy: -157.737
Base-Backbone interact. energy: 3.271
local terms energy: -429.350394
where:
bonds (distance) C4'-P energy: -137.605
bonds (distance) P-C4' energy: -135.643
flat angles C4'-P-C4' energy: -114.291
flat angles P-C4'-P energy: -77.083
tors. eta vs tors. theta energy: 35.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -570.451071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.451071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.451071 (E_RNA)
where:
Base-Base interactions energy: -204.843
where: short stacking energy: -153.113
Base-Backbone interact. energy: -1.288
local terms energy: -364.320511
where:
bonds (distance) C4'-P energy: -133.549
bonds (distance) P-C4' energy: -116.704
flat angles C4'-P-C4' energy: -93.259
flat angles P-C4'-P energy: -61.607
tors. eta vs tors. theta energy: 40.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -2526.574975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.574975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.574975 (E_RNA)
where:
Base-Base interactions energy: -1729.323
where: short stacking energy: -732.991
Base-Backbone interact. energy: -5.071
local terms energy: -792.181661
where:
bonds (distance) C4'-P energy: -162.743
bonds (distance) P-C4' energy: -150.942
flat angles C4'-P-C4' energy: -166.767
flat angles P-C4'-P energy: -115.655
tors. eta vs tors. theta energy: -196.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -2249.224783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.224783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.224783 (E_RNA)
where:
Base-Base interactions energy: -1553.053
where: short stacking energy: -619.793
Base-Backbone interact. energy: -5.677
local terms energy: -690.494395
where:
bonds (distance) C4'-P energy: -139.529
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -167.165
flat angles P-C4'-P energy: -90.730
tors. eta vs tors. theta energy: -156.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -2258.218180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.218180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.218180 (E_RNA)
where:
Base-Base interactions energy: -1495.862
where: short stacking energy: -667.521
Base-Backbone interact. energy: -1.642
local terms energy: -760.714439
where:
bonds (distance) C4'-P energy: -144.593
bonds (distance) P-C4' energy: -162.249
flat angles C4'-P-C4' energy: -157.793
flat angles P-C4'-P energy: -100.865
tors. eta vs tors. theta energy: -195.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -2129.786364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.786364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.786364 (E_RNA)
where:
Base-Base interactions energy: -1425.535
where: short stacking energy: -617.670
Base-Backbone interact. energy: -2.755
local terms energy: -701.495663
where:
bonds (distance) C4'-P energy: -143.946
bonds (distance) P-C4' energy: -139.978
flat angles C4'-P-C4' energy: -156.230
flat angles P-C4'-P energy: -76.082
tors. eta vs tors. theta energy: -185.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1835.636561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.636561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.636561 (E_RNA)
where:
Base-Base interactions energy: -1188.092
where: short stacking energy: -522.793
Base-Backbone interact. energy: 1.333
local terms energy: -648.877863
where:
bonds (distance) C4'-P energy: -145.269
bonds (distance) P-C4' energy: -133.105
flat angles C4'-P-C4' energy: -143.067
flat angles P-C4'-P energy: -89.954
tors. eta vs tors. theta energy: -137.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1551.099427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.099427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.099427 (E_RNA)
where:
Base-Base interactions energy: -1000.996
where: short stacking energy: -448.133
Base-Backbone interact. energy: -1.913
local terms energy: -548.190735
where:
bonds (distance) C4'-P energy: -106.051
bonds (distance) P-C4' energy: -125.813
flat angles C4'-P-C4' energy: -141.641
flat angles P-C4'-P energy: -87.104
tors. eta vs tors. theta energy: -87.582
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: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1497.637267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.637267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.637267 (E_RNA)
where:
Base-Base interactions energy: -914.574
where: short stacking energy: -417.124
Base-Backbone interact. energy: -0.570
local terms energy: -582.492846
where:
bonds (distance) C4'-P energy: -118.486
bonds (distance) P-C4' energy: -141.172
flat angles C4'-P-C4' energy: -137.576
flat angles P-C4'-P energy: -94.310
tors. eta vs tors. theta energy: -90.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -923.305150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.305150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.305150 (E_RNA)
where:
Base-Base interactions energy: -467.514
where: short stacking energy: -255.818
Base-Backbone interact. energy: -0.175
local terms energy: -455.616184
where:
bonds (distance) C4'-P energy: -129.177
bonds (distance) P-C4' energy: -132.478
flat angles C4'-P-C4' energy: -116.935
flat angles P-C4'-P energy: -71.924
tors. eta vs tors. theta energy: -5.103
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: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -742.305957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.305957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.305957 (E_RNA)
where:
Base-Base interactions energy: -315.400
where: short stacking energy: -203.388
Base-Backbone interact. energy: -0.645
local terms energy: -426.261727
where:
bonds (distance) C4'-P energy: -139.639
bonds (distance) P-C4' energy: -108.697
flat angles C4'-P-C4' energy: -108.984
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -560.292232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.292232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.292232 (E_RNA)
where:
Base-Base interactions energy: -207.377
where: short stacking energy: -143.285
Base-Backbone interact. energy: 7.323
local terms energy: -360.238056
where:
bonds (distance) C4'-P energy: -123.934
bonds (distance) P-C4' energy: -118.353
flat angles C4'-P-C4' energy: -85.946
flat angles P-C4'-P energy: -60.720
tors. eta vs tors. theta energy: 28.715
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: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -2518.531721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.531721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.531721 (E_RNA)
where:
Base-Base interactions energy: -1728.510
where: short stacking energy: -751.369
Base-Backbone interact. energy: -0.359
local terms energy: -789.662837
where:
bonds (distance) C4'-P energy: -146.178
bonds (distance) P-C4' energy: -157.637
flat angles C4'-P-C4' energy: -173.206
flat angles P-C4'-P energy: -100.901
tors. eta vs tors. theta energy: -211.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -2235.694865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.694865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.694865 (E_RNA)
where:
Base-Base interactions energy: -1514.838
where: short stacking energy: -578.656
Base-Backbone interact. energy: 0.176
local terms energy: -721.032048
where:
bonds (distance) C4'-P energy: -147.587
bonds (distance) P-C4' energy: -147.836
flat angles C4'-P-C4' energy: -165.029
flat angles P-C4'-P energy: -110.828
tors. eta vs tors. theta energy: -149.753
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: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -2237.479810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.479810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.479810 (E_RNA)
where:
Base-Base interactions energy: -1469.764
where: short stacking energy: -621.916
Base-Backbone interact. energy: -3.023
local terms energy: -764.692571
where:
bonds (distance) C4'-P energy: -150.567
bonds (distance) P-C4' energy: -146.329
flat angles C4'-P-C4' energy: -154.481
flat angles P-C4'-P energy: -114.774
tors. eta vs tors. theta energy: -198.541
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: 4, replica: 9
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -2137.358853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.358853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.358853 (E_RNA)
where:
Base-Base interactions energy: -1431.793
where: short stacking energy: -621.676
Base-Backbone interact. energy: -4.650
local terms energy: -700.915645
where:
bonds (distance) C4'-P energy: -138.808
bonds (distance) P-C4' energy: -125.888
flat angles C4'-P-C4' energy: -168.197
flat angles P-C4'-P energy: -91.343
tors. eta vs tors. theta energy: -176.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1873.424451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.424451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.424451 (E_RNA)
where:
Base-Base interactions energy: -1250.810
where: short stacking energy: -549.765
Base-Backbone interact. energy: -2.817
local terms energy: -619.797199
where:
bonds (distance) C4'-P energy: -120.310
bonds (distance) P-C4' energy: -137.777
flat angles C4'-P-C4' energy: -126.599
flat angles P-C4'-P energy: -92.509
tors. eta vs tors. theta energy: -142.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1614.935268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.935268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.935268 (E_RNA)
where:
Base-Base interactions energy: -1010.450
where: short stacking energy: -479.103
Base-Backbone interact. energy: 1.895
local terms energy: -606.380297
where:
bonds (distance) C4'-P energy: -129.067
bonds (distance) P-C4' energy: -137.887
flat angles C4'-P-C4' energy: -138.798
flat angles P-C4'-P energy: -97.060
tors. eta vs tors. theta energy: -103.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1553.240665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.240665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.240665 (E_RNA)
where:
Base-Base interactions energy: -962.818
where: short stacking energy: -458.289
Base-Backbone interact. energy: -4.797
local terms energy: -585.625293
where:
bonds (distance) C4'-P energy: -119.596
bonds (distance) P-C4' energy: -140.230
flat angles C4'-P-C4' energy: -133.240
flat angles P-C4'-P energy: -93.415
tors. eta vs tors. theta energy: -99.144
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: 7
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -937.580605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.580605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.580605 (E_RNA)
where:
Base-Base interactions energy: -495.141
where: short stacking energy: -254.192
Base-Backbone interact. energy: 1.837
local terms energy: -444.276392
where:
bonds (distance) C4'-P energy: -111.122
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -109.029
flat angles P-C4'-P energy: -70.892
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -720.437858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.437858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.437858 (E_RNA)
where:
Base-Base interactions energy: -289.484
where: short stacking energy: -219.019
Base-Backbone interact. energy: 5.248
local terms energy: -436.201604
where:
bonds (distance) C4'-P energy: -124.783
bonds (distance) P-C4' energy: -129.829
flat angles C4'-P-C4' energy: -114.981
flat angles P-C4'-P energy: -74.822
tors. eta vs tors. theta energy: 8.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -543.222792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.222792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.222792 (E_RNA)
where:
Base-Base interactions energy: -164.165
where: short stacking energy: -100.712
Base-Backbone interact. energy: -1.681
local terms energy: -377.377271
where:
bonds (distance) C4'-P energy: -111.149
bonds (distance) P-C4' energy: -125.021
flat angles C4'-P-C4' energy: -101.155
flat angles P-C4'-P energy: -68.670
tors. eta vs tors. theta energy: 28.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -2519.816335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.816335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.816335 (E_RNA)
where:
Base-Base interactions energy: -1713.113
where: short stacking energy: -731.148
Base-Backbone interact. energy: -4.603
local terms energy: -802.100722
where:
bonds (distance) C4'-P energy: -151.782
bonds (distance) P-C4' energy: -148.066
flat angles C4'-P-C4' energy: -167.072
flat angles P-C4'-P energy: -115.925
tors. eta vs tors. theta energy: -219.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -2323.235998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.235998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.235998 (E_RNA)
where:
Base-Base interactions energy: -1534.314
where: short stacking energy: -688.873
Base-Backbone interact. energy: -1.314
local terms energy: -787.607715
where:
bonds (distance) C4'-P energy: -148.433
bonds (distance) P-C4' energy: -153.138
flat angles C4'-P-C4' energy: -172.779
flat angles P-C4'-P energy: -109.136
tors. eta vs tors. theta energy: -204.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -2175.363550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.363550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.363550 (E_RNA)
where:
Base-Base interactions energy: -1524.030
where: short stacking energy: -597.408
Base-Backbone interact. energy: -2.429
local terms energy: -648.904603
where:
bonds (distance) C4'-P energy: -121.808
bonds (distance) P-C4' energy: -125.320
flat angles C4'-P-C4' energy: -148.938
flat angles P-C4'-P energy: -86.641
tors. eta vs tors. theta energy: -166.198
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: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -2088.183931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.183931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.183931 (E_RNA)
where:
Base-Base interactions energy: -1391.424
where: short stacking energy: -584.799
Base-Backbone interact. energy: -1.089
local terms energy: -695.670958
where:
bonds (distance) C4'-P energy: -129.751
bonds (distance) P-C4' energy: -137.723
flat angles C4'-P-C4' energy: -147.773
flat angles P-C4'-P energy: -88.685
tors. eta vs tors. theta energy: -191.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1884.972243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.972243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.972243 (E_RNA)
where:
Base-Base interactions energy: -1227.245
where: short stacking energy: -539.212
Base-Backbone interact. energy: -3.860
local terms energy: -653.867894
where:
bonds (distance) C4'-P energy: -132.531
bonds (distance) P-C4' energy: -137.459
flat angles C4'-P-C4' energy: -143.706
flat angles P-C4'-P energy: -113.179
tors. eta vs tors. theta energy: -126.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1578.651513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.651513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.651513 (E_RNA)
where:
Base-Base interactions energy: -1007.510
where: short stacking energy: -482.344
Base-Backbone interact. energy: -5.298
local terms energy: -565.843399
where:
bonds (distance) C4'-P energy: -113.964
bonds (distance) P-C4' energy: -142.951
flat angles C4'-P-C4' energy: -126.725
flat angles P-C4'-P energy: -74.800
tors. eta vs tors. theta energy: -107.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1477.207446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.207446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.207446 (E_RNA)
where:
Base-Base interactions energy: -943.181
where: short stacking energy: -420.919
Base-Backbone interact. energy: -0.136
local terms energy: -533.891070
where:
bonds (distance) C4'-P energy: -123.563
bonds (distance) P-C4' energy: -125.686
flat angles C4'-P-C4' energy: -132.852
flat angles P-C4'-P energy: -71.842
tors. eta vs tors. theta energy: -79.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -999.993953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.993953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.993953 (E_RNA)
where:
Base-Base interactions energy: -487.693
where: short stacking energy: -276.127
Base-Backbone interact. energy: 0.289
local terms energy: -512.589299
where:
bonds (distance) C4'-P energy: -139.704
bonds (distance) P-C4' energy: -145.457
flat angles C4'-P-C4' energy: -117.506
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -30.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -698.138408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.138408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.138408 (E_RNA)
where:
Base-Base interactions energy: -300.976
where: short stacking energy: -220.932
Base-Backbone interact. energy: -1.049
local terms energy: -396.113571
where:
bonds (distance) C4'-P energy: -119.038
bonds (distance) P-C4' energy: -109.757
flat angles C4'-P-C4' energy: -109.103
flat angles P-C4'-P energy: -65.669
tors. eta vs tors. theta energy: 7.454
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: 87
Temperature: 1.350000
Total energy: -547.247818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.247818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.247818 (E_RNA)
where:
Base-Base interactions energy: -186.924
where: short stacking energy: -150.169
Base-Backbone interact. energy: 2.045
local terms energy: -362.369087
where:
bonds (distance) C4'-P energy: -108.212
bonds (distance) P-C4' energy: -123.411
flat angles C4'-P-C4' energy: -95.361
flat angles P-C4'-P energy: -60.463
tors. eta vs tors. theta energy: 25.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -2528.930823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.930823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.930823 (E_RNA)
where:
Base-Base interactions energy: -1709.443
where: short stacking energy: -729.190
Base-Backbone interact. energy: -3.437
local terms energy: -816.051042
where:
bonds (distance) C4'-P energy: -157.165
bonds (distance) P-C4' energy: -155.389
flat angles C4'-P-C4' energy: -168.165
flat angles P-C4'-P energy: -117.433
tors. eta vs tors. theta energy: -217.898
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: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -2319.523424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.523424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.523424 (E_RNA)
where:
Base-Base interactions energy: -1553.171
where: short stacking energy: -669.758
Base-Backbone interact. energy: 0.767
local terms energy: -767.119446
where:
bonds (distance) C4'-P energy: -160.402
bonds (distance) P-C4' energy: -141.664
flat angles C4'-P-C4' energy: -157.262
flat angles P-C4'-P energy: -105.182
tors. eta vs tors. theta energy: -202.610
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: 5
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -2212.953952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.953952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.953952 (E_RNA)
where:
Base-Base interactions energy: -1535.852
where: short stacking energy: -594.902
Base-Backbone interact. energy: -1.966
local terms energy: -675.135317
where:
bonds (distance) C4'-P energy: -120.672
bonds (distance) P-C4' energy: -152.856
flat angles C4'-P-C4' energy: -155.592
flat angles P-C4'-P energy: -92.175
tors. eta vs tors. theta energy: -153.840
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: 88
Temperature: 1.050000
Total energy: -2130.091066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.091066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.091066 (E_RNA)
where:
Base-Base interactions energy: -1413.489
where: short stacking energy: -621.457
Base-Backbone interact. energy: -7.669
local terms energy: -708.932453
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -144.553
flat angles C4'-P-C4' energy: -146.063
flat angles P-C4'-P energy: -99.578
tors. eta vs tors. theta energy: -177.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1912.700366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.700366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.700366 (E_RNA)
where:
Base-Base interactions energy: -1264.835
where: short stacking energy: -522.461
Base-Backbone interact. energy: -1.363
local terms energy: -646.502808
where:
bonds (distance) C4'-P energy: -144.143
bonds (distance) P-C4' energy: -137.204
flat angles C4'-P-C4' energy: -146.121
flat angles P-C4'-P energy: -91.524
tors. eta vs tors. theta energy: -127.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1620.228121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.228121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.228121 (E_RNA)
where:
Base-Base interactions energy: -1005.790
where: short stacking energy: -482.315
Base-Backbone interact. energy: -1.137
local terms energy: -613.301850
where:
bonds (distance) C4'-P energy: -133.874
bonds (distance) P-C4' energy: -128.021
flat angles C4'-P-C4' energy: -145.256
flat angles P-C4'-P energy: -85.124
tors. eta vs tors. theta energy: -121.027
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: 88
Temperature: 1.200000
Total energy: -1525.918363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.918363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.918363 (E_RNA)
where:
Base-Base interactions energy: -958.585
where: short stacking energy: -447.981
Base-Backbone interact. energy: -1.473
local terms energy: -565.860265
where:
bonds (distance) C4'-P energy: -128.094
bonds (distance) P-C4' energy: -117.884
flat angles C4'-P-C4' energy: -144.457
flat angles P-C4'-P energy: -80.674
tors. eta vs tors. theta energy: -94.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -941.540279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.540279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.540279 (E_RNA)
where:
Base-Base interactions energy: -468.404
where: short stacking energy: -250.146
Base-Backbone interact. energy: -0.967
local terms energy: -472.169424
where:
bonds (distance) C4'-P energy: -129.996
bonds (distance) P-C4' energy: -135.277
flat angles C4'-P-C4' energy: -133.323
flat angles P-C4'-P energy: -63.949
tors. eta vs tors. theta energy: -9.625
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: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -788.960803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.960803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.960803 (E_RNA)
where:
Base-Base interactions energy: -377.314
where: short stacking energy: -225.674
Base-Backbone interact. energy: 2.599
local terms energy: -414.245409
where:
bonds (distance) C4'-P energy: -136.362
bonds (distance) P-C4' energy: -115.382
flat angles C4'-P-C4' energy: -113.627
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: 5.449
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: 10, replica: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -563.991372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.991372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.991372 (E_RNA)
where:
Base-Base interactions energy: -195.153
where: short stacking energy: -148.243
Base-Backbone interact. energy: 2.057
local terms energy: -370.895430
where:
bonds (distance) C4'-P energy: -123.691
bonds (distance) P-C4' energy: -109.693
flat angles C4'-P-C4' energy: -111.188
flat angles P-C4'-P energy: -45.660
tors. eta vs tors. theta energy: 19.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -2546.927972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.927972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.927972 (E_RNA)
where:
Base-Base interactions energy: -1741.895
where: short stacking energy: -743.957
Base-Backbone interact. energy: 0.103
local terms energy: -805.135959
where:
bonds (distance) C4'-P energy: -143.531
bonds (distance) P-C4' energy: -154.623
flat angles C4'-P-C4' energy: -168.268
flat angles P-C4'-P energy: -111.461
tors. eta vs tors. theta energy: -227.253
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: 4
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -2313.273869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.273869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.273869 (E_RNA)
where:
Base-Base interactions energy: -1553.758
where: short stacking energy: -663.736
Base-Backbone interact. energy: 3.373
local terms energy: -762.888267
where:
bonds (distance) C4'-P energy: -124.117
bonds (distance) P-C4' energy: -154.702
flat angles C4'-P-C4' energy: -168.049
flat angles P-C4'-P energy: -113.697
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: 3, replica: 5
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -2188.557458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.557458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.557458 (E_RNA)
where:
Base-Base interactions energy: -1484.390
where: short stacking energy: -577.176
Base-Backbone interact. energy: -1.742
local terms energy: -702.425707
where:
bonds (distance) C4'-P energy: -136.325
bonds (distance) P-C4' energy: -155.481
flat angles C4'-P-C4' energy: -150.549
flat angles P-C4'-P energy: -102.258
tors. eta vs tors. theta energy: -157.813
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: 89
Temperature: 1.050000
Total energy: -2071.614161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.614161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.614161 (E_RNA)
where:
Base-Base interactions energy: -1361.208
where: short stacking energy: -600.635
Base-Backbone interact. energy: -2.101
local terms energy: -708.305889
where:
bonds (distance) C4'-P energy: -138.747
bonds (distance) P-C4' energy: -131.977
flat angles C4'-P-C4' energy: -154.569
flat angles P-C4'-P energy: -103.411
tors. eta vs tors. theta energy: -179.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1907.514642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.514642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.514642 (E_RNA)
where:
Base-Base interactions energy: -1248.797
where: short stacking energy: -529.803
Base-Backbone interact. energy: -2.077
local terms energy: -656.641126
where:
bonds (distance) C4'-P energy: -141.837
bonds (distance) P-C4' energy: -141.879
flat angles C4'-P-C4' energy: -150.050
flat angles P-C4'-P energy: -86.639
tors. eta vs tors. theta energy: -136.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1621.977200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.977200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.977200 (E_RNA)
where:
Base-Base interactions energy: -1000.134
where: short stacking energy: -469.196
Base-Backbone interact. energy: 3.905
local terms energy: -625.748379
where:
bonds (distance) C4'-P energy: -140.590
bonds (distance) P-C4' energy: -137.177
flat angles C4'-P-C4' energy: -143.729
flat angles P-C4'-P energy: -81.905
tors. eta vs tors. theta energy: -122.348
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: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1563.570605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.570605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.570605 (E_RNA)
where:
Base-Base interactions energy: -988.825
where: short stacking energy: -433.572
Base-Backbone interact. energy: -2.524
local terms energy: -572.221608
where:
bonds (distance) C4'-P energy: -126.803
bonds (distance) P-C4' energy: -137.452
flat angles C4'-P-C4' energy: -137.154
flat angles P-C4'-P energy: -97.597
tors. eta vs tors. theta energy: -73.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1073.780648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.780648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.780648 (E_RNA)
where:
Base-Base interactions energy: -583.911
where: short stacking energy: -280.273
Base-Backbone interact. energy: 1.184
local terms energy: -491.053720
where:
bonds (distance) C4'-P energy: -137.003
bonds (distance) P-C4' energy: -138.644
flat angles C4'-P-C4' energy: -111.770
flat angles P-C4'-P energy: -76.998
tors. eta vs tors. theta energy: -26.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -727.220524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.220524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.220524 (E_RNA)
where:
Base-Base interactions energy: -332.528
where: short stacking energy: -210.362
Base-Backbone interact. energy: 5.801
local terms energy: -400.493038
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -136.226
flat angles C4'-P-C4' energy: -95.626
flat angles P-C4'-P energy: -71.278
tors. eta vs tors. theta energy: 13.407
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: 89
Temperature: 1.350000
Total energy: -548.718838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.718838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.718838 (E_RNA)
where:
Base-Base interactions energy: -165.472
where: short stacking energy: -134.690
Base-Backbone interact. energy: 0.214
local terms energy: -383.460547
where:
bonds (distance) C4'-P energy: -131.500
bonds (distance) P-C4' energy: -129.439
flat angles C4'-P-C4' energy: -80.678
flat angles P-C4'-P energy: -69.932
tors. eta vs tors. theta energy: 28.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -2551.678331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.678331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.678331 (E_RNA)
where:
Base-Base interactions energy: -1766.811
where: short stacking energy: -726.398
Base-Backbone interact. energy: -2.078
local terms energy: -782.789091
where:
bonds (distance) C4'-P energy: -144.826
bonds (distance) P-C4' energy: -136.457
flat angles C4'-P-C4' energy: -176.118
flat angles P-C4'-P energy: -109.602
tors. eta vs tors. theta energy: -215.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -2327.858170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.858170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.858170 (E_RNA)
where:
Base-Base interactions energy: -1543.401
where: short stacking energy: -677.353
Base-Backbone interact. energy: -3.963
local terms energy: -780.494167
where:
bonds (distance) C4'-P energy: -145.406
bonds (distance) P-C4' energy: -151.314
flat angles C4'-P-C4' energy: -168.462
flat angles P-C4'-P energy: -101.396
tors. eta vs tors. theta energy: -213.916
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: 5
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -2234.688473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.688473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.688473 (E_RNA)
where:
Base-Base interactions energy: -1534.802
where: short stacking energy: -611.302
Base-Backbone interact. energy: -6.444
local terms energy: -693.442563
where:
bonds (distance) C4'-P energy: -130.440
bonds (distance) P-C4' energy: -146.599
flat angles C4'-P-C4' energy: -144.925
flat angles P-C4'-P energy: -104.513
tors. eta vs tors. theta energy: -166.966
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: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -2147.067770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.067770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.067770 (E_RNA)
where:
Base-Base interactions energy: -1437.706
where: short stacking energy: -611.665
Base-Backbone interact. energy: -1.380
local terms energy: -707.981724
where:
bonds (distance) C4'-P energy: -134.369
bonds (distance) P-C4' energy: -134.768
flat angles C4'-P-C4' energy: -158.328
flat angles P-C4'-P energy: -94.724
tors. eta vs tors. theta energy: -185.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1865.176299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.176299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.176299 (E_RNA)
where:
Base-Base interactions energy: -1194.869
where: short stacking energy: -527.682
Base-Backbone interact. energy: -0.746
local terms energy: -669.560605
where:
bonds (distance) C4'-P energy: -138.355
bonds (distance) P-C4' energy: -149.565
flat angles C4'-P-C4' energy: -143.692
flat angles P-C4'-P energy: -95.053
tors. eta vs tors. theta energy: -142.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1597.047231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.047231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.047231 (E_RNA)
where:
Base-Base interactions energy: -1022.147
where: short stacking energy: -448.315
Base-Backbone interact. energy: 3.963
local terms energy: -578.863102
where:
bonds (distance) C4'-P energy: -141.416
bonds (distance) P-C4' energy: -125.985
flat angles C4'-P-C4' energy: -125.739
flat angles P-C4'-P energy: -80.261
tors. eta vs tors. theta energy: -105.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1488.198954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.198954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.198954 (E_RNA)
where:
Base-Base interactions energy: -956.780
where: short stacking energy: -429.913
Base-Backbone interact. energy: 6.118
local terms energy: -537.536946
where:
bonds (distance) C4'-P energy: -127.364
bonds (distance) P-C4' energy: -123.216
flat angles C4'-P-C4' energy: -126.692
flat angles P-C4'-P energy: -77.796
tors. eta vs tors. theta energy: -82.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1157.692640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.692640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.692640 (E_RNA)
where:
Base-Base interactions energy: -662.917
where: short stacking energy: -304.044
Base-Backbone interact. energy: 3.485
local terms energy: -498.260986
where:
bonds (distance) C4'-P energy: -130.094
bonds (distance) P-C4' energy: -140.392
flat angles C4'-P-C4' energy: -122.229
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -33.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -707.074827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.074827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.074827 (E_RNA)
where:
Base-Base interactions energy: -282.381
where: short stacking energy: -195.546
Base-Backbone interact. energy: -0.604
local terms energy: -424.089605
where:
bonds (distance) C4'-P energy: -119.114
bonds (distance) P-C4' energy: -126.173
flat angles C4'-P-C4' energy: -89.065
flat angles P-C4'-P energy: -88.814
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -589.216415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.216415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.216415 (E_RNA)
where:
Base-Base interactions energy: -194.601
where: short stacking energy: -157.873
Base-Backbone interact. energy: 4.474
local terms energy: -399.088848
where:
bonds (distance) C4'-P energy: -121.905
bonds (distance) P-C4' energy: -141.867
flat angles C4'-P-C4' energy: -100.378
flat angles P-C4'-P energy: -70.656
tors. eta vs tors. theta energy: 35.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -2557.753984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.753984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.753984 (E_RNA)
where:
Base-Base interactions energy: -1735.572
where: short stacking energy: -744.268
Base-Backbone interact. energy: -3.048
local terms energy: -819.134647
where:
bonds (distance) C4'-P energy: -163.178
bonds (distance) P-C4' energy: -153.229
flat angles C4'-P-C4' energy: -168.951
flat angles P-C4'-P energy: -117.000
tors. eta vs tors. theta energy: -216.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -2353.536852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.536852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.536852 (E_RNA)
where:
Base-Base interactions energy: -1559.638
where: short stacking energy: -742.771
Base-Backbone interact. energy: -3.670
local terms energy: -790.228699
where:
bonds (distance) C4'-P energy: -151.222
bonds (distance) P-C4' energy: -134.203
flat angles C4'-P-C4' energy: -174.282
flat angles P-C4'-P energy: -110.972
tors. eta vs tors. theta energy: -219.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -2233.127507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.127507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.127507 (E_RNA)
where:
Base-Base interactions energy: -1513.741
where: short stacking energy: -595.436
Base-Backbone interact. energy: -5.126
local terms energy: -714.260957
where:
bonds (distance) C4'-P energy: -142.066
bonds (distance) P-C4' energy: -130.965
flat angles C4'-P-C4' energy: -161.024
flat angles P-C4'-P energy: -106.333
tors. eta vs tors. theta energy: -173.874
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: 91
Temperature: 1.050000
Total energy: -2098.232164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.232164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.232164 (E_RNA)
where:
Base-Base interactions energy: -1347.484
where: short stacking energy: -580.419
Base-Backbone interact. energy: -5.121
local terms energy: -745.627011
where:
bonds (distance) C4'-P energy: -146.013
bonds (distance) P-C4' energy: -142.918
flat angles C4'-P-C4' energy: -170.959
flat angles P-C4'-P energy: -109.156
tors. eta vs tors. theta energy: -176.582
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: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1818.476605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.476605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.476605 (E_RNA)
where:
Base-Base interactions energy: -1205.387
where: short stacking energy: -533.237
Base-Backbone interact. energy: 2.486
local terms energy: -615.576273
where:
bonds (distance) C4'-P energy: -127.990
bonds (distance) P-C4' energy: -133.459
flat angles C4'-P-C4' energy: -138.371
flat angles P-C4'-P energy: -89.314
tors. eta vs tors. theta energy: -126.444
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: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1567.852460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.852460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.852460 (E_RNA)
where:
Base-Base interactions energy: -978.894
where: short stacking energy: -450.749
Base-Backbone interact. energy: 2.978
local terms energy: -591.936933
where:
bonds (distance) C4'-P energy: -141.221
bonds (distance) P-C4' energy: -137.683
flat angles C4'-P-C4' energy: -144.155
flat angles P-C4'-P energy: -75.163
tors. eta vs tors. theta energy: -93.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1543.154883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.154883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.154883 (E_RNA)
where:
Base-Base interactions energy: -984.409
where: short stacking energy: -452.356
Base-Backbone interact. energy: -2.153
local terms energy: -556.592737
where:
bonds (distance) C4'-P energy: -91.666
bonds (distance) P-C4' energy: -134.767
flat angles C4'-P-C4' energy: -152.651
flat angles P-C4'-P energy: -78.696
tors. eta vs tors. theta energy: -98.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1094.215358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.215358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.215358 (E_RNA)
where:
Base-Base interactions energy: -616.037
where: short stacking energy: -294.063
Base-Backbone interact. energy: -0.278
local terms energy: -477.900223
where:
bonds (distance) C4'-P energy: -120.928
bonds (distance) P-C4' energy: -126.650
flat angles C4'-P-C4' energy: -121.379
flat angles P-C4'-P energy: -70.707
tors. eta vs tors. theta energy: -38.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -712.013038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.013038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.013038 (E_RNA)
where:
Base-Base interactions energy: -319.162
where: short stacking energy: -223.621
Base-Backbone interact. energy: -1.180
local terms energy: -391.671851
where:
bonds (distance) C4'-P energy: -116.699
bonds (distance) P-C4' energy: -115.528
flat angles C4'-P-C4' energy: -106.248
flat angles P-C4'-P energy: -62.491
tors. eta vs tors. theta energy: 9.294
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: 6
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -638.355186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.355186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.355186 (E_RNA)
where:
Base-Base interactions energy: -238.093
where: short stacking energy: -179.910
Base-Backbone interact. energy: 0.934
local terms energy: -401.196109
where:
bonds (distance) C4'-P energy: -121.987
bonds (distance) P-C4' energy: -136.190
flat angles C4'-P-C4' energy: -97.440
flat angles P-C4'-P energy: -61.380
tors. eta vs tors. theta energy: 15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -2569.276270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.276270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.276270 (E_RNA)
where:
Base-Base interactions energy: -1749.028
where: short stacking energy: -720.176
Base-Backbone interact. energy: -3.655
local terms energy: -816.593790
where:
bonds (distance) C4'-P energy: -155.563
bonds (distance) P-C4' energy: -144.860
flat angles C4'-P-C4' energy: -175.785
flat angles P-C4'-P energy: -115.283
tors. eta vs tors. theta energy: -225.103
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: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -2334.870791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.870791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.870791 (E_RNA)
where:
Base-Base interactions energy: -1569.736
where: short stacking energy: -689.258
Base-Backbone interact. energy: -4.777
local terms energy: -760.356985
where:
bonds (distance) C4'-P energy: -134.682
bonds (distance) P-C4' energy: -149.534
flat angles C4'-P-C4' energy: -166.946
flat angles P-C4'-P energy: -101.808
tors. eta vs tors. theta energy: -207.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -2219.892603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.892603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.892603 (E_RNA)
where:
Base-Base interactions energy: -1478.868
where: short stacking energy: -610.816
Base-Backbone interact. energy: -4.854
local terms energy: -736.170638
where:
bonds (distance) C4'-P energy: -148.971
bonds (distance) P-C4' energy: -143.593
flat angles C4'-P-C4' energy: -169.874
flat angles P-C4'-P energy: -101.284
tors. eta vs tors. theta energy: -172.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -2128.562895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.562895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.562895 (E_RNA)
where:
Base-Base interactions energy: -1413.208
where: short stacking energy: -604.146
Base-Backbone interact. energy: -2.339
local terms energy: -713.016209
where:
bonds (distance) C4'-P energy: -148.477
bonds (distance) P-C4' energy: -143.165
flat angles C4'-P-C4' energy: -132.374
flat angles P-C4'-P energy: -109.523
tors. eta vs tors. theta energy: -179.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1828.219125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.219125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.219125 (E_RNA)
where:
Base-Base interactions energy: -1155.800
where: short stacking energy: -496.603
Base-Backbone interact. energy: -2.237
local terms energy: -670.182838
where:
bonds (distance) C4'-P energy: -144.272
bonds (distance) P-C4' energy: -143.531
flat angles C4'-P-C4' energy: -147.154
flat angles P-C4'-P energy: -99.673
tors. eta vs tors. theta energy: -135.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1626.530764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.530764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.530764 (E_RNA)
where:
Base-Base interactions energy: -1023.809
where: short stacking energy: -488.921
Base-Backbone interact. energy: -2.347
local terms energy: -600.375240
where:
bonds (distance) C4'-P energy: -137.975
bonds (distance) P-C4' energy: -124.329
flat angles C4'-P-C4' energy: -139.502
flat angles P-C4'-P energy: -73.330
tors. eta vs tors. theta energy: -125.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1595.337596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.337596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.337596 (E_RNA)
where:
Base-Base interactions energy: -1019.616
where: short stacking energy: -425.746
Base-Backbone interact. energy: -3.705
local terms energy: -572.016797
where:
bonds (distance) C4'-P energy: -115.938
bonds (distance) P-C4' energy: -120.418
flat angles C4'-P-C4' energy: -152.787
flat angles P-C4'-P energy: -86.328
tors. eta vs tors. theta energy: -96.546
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: 7
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1055.194679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.194679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.194679 (E_RNA)
where:
Base-Base interactions energy: -575.158
where: short stacking energy: -297.161
Base-Backbone interact. energy: -0.834
local terms energy: -479.202890
where:
bonds (distance) C4'-P energy: -117.749
bonds (distance) P-C4' energy: -117.985
flat angles C4'-P-C4' energy: -116.683
flat angles P-C4'-P energy: -79.781
tors. eta vs tors. theta energy: -47.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -723.260713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.260713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.260713 (E_RNA)
where:
Base-Base interactions energy: -307.152
where: short stacking energy: -189.283
Base-Backbone interact. energy: 0.330
local terms energy: -416.438553
where:
bonds (distance) C4'-P energy: -108.351
bonds (distance) P-C4' energy: -126.022
flat angles C4'-P-C4' energy: -112.582
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: 6.098
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: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -633.614894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.614894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.614894 (E_RNA)
where:
Base-Base interactions energy: -241.617
where: short stacking energy: -165.304
Base-Backbone interact. energy: 1.419
local terms energy: -393.417198
where:
bonds (distance) C4'-P energy: -136.726
bonds (distance) P-C4' energy: -136.685
flat angles C4'-P-C4' energy: -84.813
flat angles P-C4'-P energy: -52.472
tors. eta vs tors. theta energy: 17.280
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: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -2603.241789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.241789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.241789 (E_RNA)
where:
Base-Base interactions energy: -1776.721
where: short stacking energy: -753.120
Base-Backbone interact. energy: -0.521
local terms energy: -825.999620
where:
bonds (distance) C4'-P energy: -159.458
bonds (distance) P-C4' energy: -144.201
flat angles C4'-P-C4' energy: -172.173
flat angles P-C4'-P energy: -115.738
tors. eta vs tors. theta energy: -234.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -2322.402612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.402612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.402612 (E_RNA)
where:
Base-Base interactions energy: -1545.554
where: short stacking energy: -718.445
Base-Backbone interact. energy: 0.058
local terms energy: -776.907523
where:
bonds (distance) C4'-P energy: -144.659
bonds (distance) P-C4' energy: -144.311
flat angles C4'-P-C4' energy: -170.675
flat angles P-C4'-P energy: -111.392
tors. eta vs tors. theta energy: -205.870
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: 5
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -2226.700551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.700551 (E_RNA)
where:
Base-Base interactions energy: -1535.773
where: short stacking energy: -606.530
Base-Backbone interact. energy: -3.095
local terms energy: -687.833292
where:
bonds (distance) C4'-P energy: -126.860
bonds (distance) P-C4' energy: -149.123
flat angles C4'-P-C4' energy: -150.207
flat angles P-C4'-P energy: -103.286
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: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -2135.984878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.984878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.984878 (E_RNA)
where:
Base-Base interactions energy: -1443.293
where: short stacking energy: -608.636
Base-Backbone interact. energy: -2.732
local terms energy: -689.959126
where:
bonds (distance) C4'-P energy: -129.409
bonds (distance) P-C4' energy: -138.172
flat angles C4'-P-C4' energy: -149.276
flat angles P-C4'-P energy: -98.353
tors. eta vs tors. theta energy: -174.749
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: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1880.007991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.007991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.007991 (E_RNA)
where:
Base-Base interactions energy: -1251.710
where: short stacking energy: -535.842
Base-Backbone interact. energy: 6.281
local terms energy: -634.579548
where:
bonds (distance) C4'-P energy: -130.897
bonds (distance) P-C4' energy: -141.826
flat angles C4'-P-C4' energy: -136.210
flat angles P-C4'-P energy: -85.605
tors. eta vs tors. theta energy: -140.041
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: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1652.211884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.211884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.211884 (E_RNA)
where:
Base-Base interactions energy: -1068.282
where: short stacking energy: -490.739
Base-Backbone interact. energy: -1.559
local terms energy: -582.371157
where:
bonds (distance) C4'-P energy: -125.573
bonds (distance) P-C4' energy: -115.514
flat angles C4'-P-C4' energy: -140.475
flat angles P-C4'-P energy: -84.706
tors. eta vs tors. theta energy: -116.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1559.578972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.578972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.578972 (E_RNA)
where:
Base-Base interactions energy: -973.134
where: short stacking energy: -423.765
Base-Backbone interact. energy: -1.229
local terms energy: -585.216274
where:
bonds (distance) C4'-P energy: -133.389
bonds (distance) P-C4' energy: -135.146
flat angles C4'-P-C4' energy: -133.190
flat angles P-C4'-P energy: -96.005
tors. eta vs tors. theta energy: -87.486
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: 8, replica: 7
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1008.963682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.963682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.963682 (E_RNA)
where:
Base-Base interactions energy: -529.069
where: short stacking energy: -278.266
Base-Backbone interact. energy: 2.072
local terms energy: -481.966525
where:
bonds (distance) C4'-P energy: -128.211
bonds (distance) P-C4' energy: -125.361
flat angles C4'-P-C4' energy: -126.548
flat angles P-C4'-P energy: -70.202
tors. eta vs tors. theta energy: -31.645
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -688.976640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.976640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.976640 (E_RNA)
where:
Base-Base interactions energy: -302.623
where: short stacking energy: -193.744
Base-Backbone interact. energy: 2.941
local terms energy: -389.293952
where:
bonds (distance) C4'-P energy: -127.952
bonds (distance) P-C4' energy: -121.816
flat angles C4'-P-C4' energy: -98.302
flat angles P-C4'-P energy: -72.366
tors. eta vs tors. theta energy: 31.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -641.925163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.925163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.925163 (E_RNA)
where:
Base-Base interactions energy: -263.510
where: short stacking energy: -177.869
Base-Backbone interact. energy: 0.797
local terms energy: -379.211552
where:
bonds (distance) C4'-P energy: -113.978
bonds (distance) P-C4' energy: -135.632
flat angles C4'-P-C4' energy: -99.776
flat angles P-C4'-P energy: -55.830
tors. eta vs tors. theta energy: 26.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -2605.895185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.895185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.895185 (E_RNA)
where:
Base-Base interactions energy: -1788.172
where: short stacking energy: -724.298
Base-Backbone interact. energy: -2.110
local terms energy: -815.612393
where:
bonds (distance) C4'-P energy: -146.727
bonds (distance) P-C4' energy: -149.590
flat angles C4'-P-C4' energy: -179.916
flat angles P-C4'-P energy: -107.429
tors. eta vs tors. theta energy: -231.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -2373.897109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.897109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.897109 (E_RNA)
where:
Base-Base interactions energy: -1558.272
where: short stacking energy: -711.005
Base-Backbone interact. energy: -3.283
local terms energy: -812.342659
where:
bonds (distance) C4'-P energy: -140.393
bonds (distance) P-C4' energy: -163.627
flat angles C4'-P-C4' energy: -175.670
flat angles P-C4'-P energy: -108.826
tors. eta vs tors. theta energy: -223.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -2206.130883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.130883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.130883 (E_RNA)
where:
Base-Base interactions energy: -1492.364
where: short stacking energy: -609.267
Base-Backbone interact. energy: -3.888
local terms energy: -709.879669
where:
bonds (distance) C4'-P energy: -142.213
bonds (distance) P-C4' energy: -154.296
flat angles C4'-P-C4' energy: -135.899
flat angles P-C4'-P energy: -100.281
tors. eta vs tors. theta energy: -177.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -2164.176013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.176013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.176013 (E_RNA)
where:
Base-Base interactions energy: -1451.922
where: short stacking energy: -613.401
Base-Backbone interact. energy: 4.735
local terms energy: -716.988568
where:
bonds (distance) C4'-P energy: -124.393
bonds (distance) P-C4' energy: -139.019
flat angles C4'-P-C4' energy: -161.148
flat angles P-C4'-P energy: -107.191
tors. eta vs tors. theta energy: -185.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1807.630985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.630985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.630985 (E_RNA)
where:
Base-Base interactions energy: -1196.617
where: short stacking energy: -514.049
Base-Backbone interact. energy: -3.694
local terms energy: -607.320317
where:
bonds (distance) C4'-P energy: -115.139
bonds (distance) P-C4' energy: -121.797
flat angles C4'-P-C4' energy: -161.234
flat angles P-C4'-P energy: -82.066
tors. eta vs tors. theta energy: -127.084
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: 8
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1731.988651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.988651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.988651 (E_RNA)
where:
Base-Base interactions energy: -1113.286
where: short stacking energy: -495.796
Base-Backbone interact. energy: -1.581
local terms energy: -617.121848
where:
bonds (distance) C4'-P energy: -134.540
bonds (distance) P-C4' energy: -139.815
flat angles C4'-P-C4' energy: -146.520
flat angles P-C4'-P energy: -76.586
tors. eta vs tors. theta energy: -119.662
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: 10
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1492.477668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.477668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.477668 (E_RNA)
where:
Base-Base interactions energy: -937.393
where: short stacking energy: -414.270
Base-Backbone interact. energy: -2.061
local terms energy: -553.023571
where:
bonds (distance) C4'-P energy: -120.637
bonds (distance) P-C4' energy: -133.530
flat angles C4'-P-C4' energy: -120.567
flat angles P-C4'-P energy: -102.719
tors. eta vs tors. theta energy: -75.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -1025.171466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.171466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.171466 (E_RNA)
where:
Base-Base interactions energy: -555.473
where: short stacking energy: -267.138
Base-Backbone interact. energy: -1.810
local terms energy: -467.888453
where:
bonds (distance) C4'-P energy: -135.694
bonds (distance) P-C4' energy: -148.350
flat angles C4'-P-C4' energy: -96.322
flat angles P-C4'-P energy: -74.369
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -727.965073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.965073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.965073 (E_RNA)
where:
Base-Base interactions energy: -307.928
where: short stacking energy: -194.527
Base-Backbone interact. energy: -2.402
local terms energy: -417.635706
where:
bonds (distance) C4'-P energy: -112.490
bonds (distance) P-C4' energy: -136.042
flat angles C4'-P-C4' energy: -113.448
flat angles P-C4'-P energy: -58.571
tors. eta vs tors. theta energy: 2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -620.691475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.691475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.691475 (E_RNA)
where:
Base-Base interactions energy: -239.083
where: short stacking energy: -161.057
Base-Backbone interact. energy: 1.120
local terms energy: -382.728937
where:
bonds (distance) C4'-P energy: -113.859
bonds (distance) P-C4' energy: -137.004
flat angles C4'-P-C4' energy: -108.082
flat angles P-C4'-P energy: -42.161
tors. eta vs tors. theta energy: 18.377
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: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -2605.933051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.933051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.933051 (E_RNA)
where:
Base-Base interactions energy: -1795.254
where: short stacking energy: -744.942
Base-Backbone interact. energy: 0.603
local terms energy: -811.282086
where:
bonds (distance) C4'-P energy: -147.607
bonds (distance) P-C4' energy: -151.598
flat angles C4'-P-C4' energy: -170.016
flat angles P-C4'-P energy: -118.721
tors. eta vs tors. theta energy: -223.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -2365.779208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.779208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.779208 (E_RNA)
where:
Base-Base interactions energy: -1579.296
where: short stacking energy: -698.964
Base-Backbone interact. energy: -3.924
local terms energy: -782.559278
where:
bonds (distance) C4'-P energy: -157.188
bonds (distance) P-C4' energy: -140.743
flat angles C4'-P-C4' energy: -166.666
flat angles P-C4'-P energy: -108.444
tors. eta vs tors. theta energy: -209.519
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: 3, replica: 5
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -2249.623809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.623809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.623809 (E_RNA)
where:
Base-Base interactions energy: -1540.479
where: short stacking energy: -619.901
Base-Backbone interact. energy: -5.882
local terms energy: -703.263016
where:
bonds (distance) C4'-P energy: -148.507
bonds (distance) P-C4' energy: -127.784
flat angles C4'-P-C4' energy: -161.881
flat angles P-C4'-P energy: -97.636
tors. eta vs tors. theta energy: -167.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -2162.387046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.387046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.387046 (E_RNA)
where:
Base-Base interactions energy: -1440.509
where: short stacking energy: -604.333
Base-Backbone interact. energy: -1.656
local terms energy: -720.222028
where:
bonds (distance) C4'-P energy: -113.801
bonds (distance) P-C4' energy: -157.430
flat angles C4'-P-C4' energy: -155.377
flat angles P-C4'-P energy: -109.485
tors. eta vs tors. theta energy: -184.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1797.409112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.409112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.409112 (E_RNA)
where:
Base-Base interactions energy: -1156.780
where: short stacking energy: -497.309
Base-Backbone interact. energy: -0.879
local terms energy: -639.750281
where:
bonds (distance) C4'-P energy: -127.961
bonds (distance) P-C4' energy: -143.862
flat angles C4'-P-C4' energy: -127.482
flat angles P-C4'-P energy: -109.031
tors. eta vs tors. theta energy: -131.414
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: 6, replica: 8
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1712.451315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.451315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.451315 (E_RNA)
where:
Base-Base interactions energy: -1107.413
where: short stacking energy: -499.261
Base-Backbone interact. energy: 1.465
local terms energy: -606.502725
where:
bonds (distance) C4'-P energy: -118.757
bonds (distance) P-C4' energy: -144.537
flat angles C4'-P-C4' energy: -145.375
flat angles P-C4'-P energy: -67.997
tors. eta vs tors. theta energy: -129.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1459.609969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.609969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.609969 (E_RNA)
where:
Base-Base interactions energy: -921.356
where: short stacking energy: -405.378
Base-Backbone interact. energy: -0.852
local terms energy: -537.402622
where:
bonds (distance) C4'-P energy: -128.935
bonds (distance) P-C4' energy: -115.126
flat angles C4'-P-C4' energy: -128.344
flat angles P-C4'-P energy: -80.631
tors. eta vs tors. theta energy: -84.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1064.339459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.339459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.339459 (E_RNA)
where:
Base-Base interactions energy: -583.932
where: short stacking energy: -306.410
Base-Backbone interact. energy: -2.115
local terms energy: -478.292396
where:
bonds (distance) C4'-P energy: -124.009
bonds (distance) P-C4' energy: -133.319
flat angles C4'-P-C4' energy: -138.465
flat angles P-C4'-P energy: -53.212
tors. eta vs tors. theta energy: -29.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -720.725573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.725573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.725573 (E_RNA)
where:
Base-Base interactions energy: -339.090
where: short stacking energy: -182.333
Base-Backbone interact. energy: 9.946
local terms energy: -391.581299
where:
bonds (distance) C4'-P energy: -126.796
bonds (distance) P-C4' energy: -117.871
flat angles C4'-P-C4' energy: -97.172
flat angles P-C4'-P energy: -72.780
tors. eta vs tors. theta energy: 23.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -640.941471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.941471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.941471 (E_RNA)
where:
Base-Base interactions energy: -276.700
where: short stacking energy: -160.077
Base-Backbone interact. energy: -4.001
local terms energy: -360.240020
where:
bonds (distance) C4'-P energy: -119.950
bonds (distance) P-C4' energy: -119.785
flat angles C4'-P-C4' energy: -116.865
flat angles P-C4'-P energy: -44.955
tors. eta vs tors. theta energy: 41.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -2581.134840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.134840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.134840 (E_RNA)
where:
Base-Base interactions energy: -1739.408
where: short stacking energy: -728.443
Base-Backbone interact. energy: -4.822
local terms energy: -836.904588
where:
bonds (distance) C4'-P energy: -156.027
bonds (distance) P-C4' energy: -156.364
flat angles C4'-P-C4' energy: -178.680
flat angles P-C4'-P energy: -127.032
tors. eta vs tors. theta energy: -218.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -2342.544478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.544478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.544478 (E_RNA)
where:
Base-Base interactions energy: -1561.584
where: short stacking energy: -683.771
Base-Backbone interact. energy: -0.441
local terms energy: -780.519567
where:
bonds (distance) C4'-P energy: -142.196
bonds (distance) P-C4' energy: -137.822
flat angles C4'-P-C4' energy: -170.496
flat angles P-C4'-P energy: -118.577
tors. eta vs tors. theta energy: -211.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -2234.696182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.696182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.696182 (E_RNA)
where:
Base-Base interactions energy: -1531.768
where: short stacking energy: -612.051
Base-Backbone interact. energy: -3.035
local terms energy: -699.892776
where:
bonds (distance) C4'-P energy: -154.654
bonds (distance) P-C4' energy: -151.576
flat angles C4'-P-C4' energy: -157.497
flat angles P-C4'-P energy: -75.528
tors. eta vs tors. theta energy: -160.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -2110.966485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.966485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.966485 (E_RNA)
where:
Base-Base interactions energy: -1397.774
where: short stacking energy: -631.045
Base-Backbone interact. energy: 2.755
local terms energy: -715.947882
where:
bonds (distance) C4'-P energy: -130.124
bonds (distance) P-C4' energy: -130.509
flat angles C4'-P-C4' energy: -159.285
flat angles P-C4'-P energy: -106.516
tors. eta vs tors. theta energy: -189.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1881.308894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.308894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.308894 (E_RNA)
where:
Base-Base interactions energy: -1231.825
where: short stacking energy: -503.721
Base-Backbone interact. energy: 0.580
local terms energy: -650.063239
where:
bonds (distance) C4'-P energy: -132.387
bonds (distance) P-C4' energy: -147.486
flat angles C4'-P-C4' energy: -144.575
flat angles P-C4'-P energy: -88.263
tors. eta vs tors. theta energy: -137.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1706.430000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.430000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.430000 (E_RNA)
where:
Base-Base interactions energy: -1101.031
where: short stacking energy: -434.082
Base-Backbone interact. energy: 2.046
local terms energy: -607.445179
where:
bonds (distance) C4'-P energy: -119.157
bonds (distance) P-C4' energy: -144.717
flat angles C4'-P-C4' energy: -136.411
flat angles P-C4'-P energy: -81.463
tors. eta vs tors. theta energy: -125.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1366.819644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.819644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.819644 (E_RNA)
where:
Base-Base interactions energy: -818.086
where: short stacking energy: -384.901
Base-Backbone interact. energy: 7.031
local terms energy: -555.765086
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -133.436
flat angles C4'-P-C4' energy: -118.636
flat angles P-C4'-P energy: -91.807
tors. eta vs tors. theta energy: -84.490
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: 7
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1040.785861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.785861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.785861 (E_RNA)
where:
Base-Base interactions energy: -579.559
where: short stacking energy: -291.534
Base-Backbone interact. energy: 2.704
local terms energy: -463.931355
where:
bonds (distance) C4'-P energy: -119.025
bonds (distance) P-C4' energy: -126.292
flat angles C4'-P-C4' energy: -137.909
flat angles P-C4'-P energy: -58.172
tors. eta vs tors. theta energy: -22.534
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: 96
Temperature: 1.300000
Total energy: -707.704765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.704765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.704765 (E_RNA)
where:
Base-Base interactions energy: -306.327
where: short stacking energy: -156.324
Base-Backbone interact. energy: 10.140
local terms energy: -411.518185
where:
bonds (distance) C4'-P energy: -121.636
bonds (distance) P-C4' energy: -126.509
flat angles C4'-P-C4' energy: -122.280
flat angles P-C4'-P energy: -73.413
tors. eta vs tors. theta energy: 32.321
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: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -629.163859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.163859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.163859 (E_RNA)
where:
Base-Base interactions energy: -249.117
where: short stacking energy: -156.526
Base-Backbone interact. energy: -2.242
local terms energy: -377.804604
where:
bonds (distance) C4'-P energy: -139.370
bonds (distance) P-C4' energy: -118.344
flat angles C4'-P-C4' energy: -87.823
flat angles P-C4'-P energy: -37.839
tors. eta vs tors. theta energy: 5.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -2578.281641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2578.281641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2578.281641 (E_RNA)
where:
Base-Base interactions energy: -1748.147
where: short stacking energy: -728.506
Base-Backbone interact. energy: 3.750
local terms energy: -833.884742
where:
bonds (distance) C4'-P energy: -164.555
bonds (distance) P-C4' energy: -153.408
flat angles C4'-P-C4' energy: -182.841
flat angles P-C4'-P energy: -108.720
tors. eta vs tors. theta energy: -224.361
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: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -2337.163822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.163822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.163822 (E_RNA)
where:
Base-Base interactions energy: -1562.020
where: short stacking energy: -674.443
Base-Backbone interact. energy: -1.771
local terms energy: -773.372020
where:
bonds (distance) C4'-P energy: -154.295
bonds (distance) P-C4' energy: -157.493
flat angles C4'-P-C4' energy: -151.569
flat angles P-C4'-P energy: -99.999
tors. eta vs tors. theta energy: -210.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -2206.032423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.032423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.032423 (E_RNA)
where:
Base-Base interactions energy: -1509.791
where: short stacking energy: -596.013
Base-Backbone interact. energy: -6.304
local terms energy: -689.937209
where:
bonds (distance) C4'-P energy: -122.414
bonds (distance) P-C4' energy: -142.111
flat angles C4'-P-C4' energy: -166.557
flat angles P-C4'-P energy: -93.562
tors. eta vs tors. theta energy: -165.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -2155.472085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.472085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.472085 (E_RNA)
where:
Base-Base interactions energy: -1433.470
where: short stacking energy: -609.814
Base-Backbone interact. energy: -3.979
local terms energy: -718.022750
where:
bonds (distance) C4'-P energy: -117.850
bonds (distance) P-C4' energy: -157.930
flat angles C4'-P-C4' energy: -160.340
flat angles P-C4'-P energy: -102.676
tors. eta vs tors. theta energy: -179.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1943.736860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.736860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.736860 (E_RNA)
where:
Base-Base interactions energy: -1261.636
where: short stacking energy: -544.853
Base-Backbone interact. energy: 1.475
local terms energy: -683.576402
where:
bonds (distance) C4'-P energy: -149.334
bonds (distance) P-C4' energy: -138.255
flat angles C4'-P-C4' energy: -144.094
flat angles P-C4'-P energy: -101.089
tors. eta vs tors. theta energy: -150.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1648.748893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.748893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.748893 (E_RNA)
where:
Base-Base interactions energy: -1075.210
where: short stacking energy: -462.274
Base-Backbone interact. energy: 1.119
local terms energy: -574.657623
where:
bonds (distance) C4'-P energy: -130.983
bonds (distance) P-C4' energy: -123.058
flat angles C4'-P-C4' energy: -134.532
flat angles P-C4'-P energy: -90.995
tors. eta vs tors. theta energy: -95.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1452.546196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.546196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.546196 (E_RNA)
where:
Base-Base interactions energy: -920.311
where: short stacking energy: -399.136
Base-Backbone interact. energy: 5.876
local terms energy: -538.111234
where:
bonds (distance) C4'-P energy: -132.001
bonds (distance) P-C4' energy: -124.943
flat angles C4'-P-C4' energy: -118.309
flat angles P-C4'-P energy: -87.275
tors. eta vs tors. theta energy: -75.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1091.496741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.496741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.496741 (E_RNA)
where:
Base-Base interactions energy: -617.212
where: short stacking energy: -313.040
Base-Backbone interact. energy: -1.215
local terms energy: -473.069484
where:
bonds (distance) C4'-P energy: -121.954
bonds (distance) P-C4' energy: -142.521
flat angles C4'-P-C4' energy: -114.815
flat angles P-C4'-P energy: -62.624
tors. eta vs tors. theta energy: -31.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -760.753108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.753108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.753108 (E_RNA)
where:
Base-Base interactions energy: -354.766
where: short stacking energy: -201.802
Base-Backbone interact. energy: 2.721
local terms energy: -408.707965
where:
bonds (distance) C4'-P energy: -117.868
bonds (distance) P-C4' energy: -129.792
flat angles C4'-P-C4' energy: -94.139
flat angles P-C4'-P energy: -51.482
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -632.257651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.257651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.257651 (E_RNA)
where:
Base-Base interactions energy: -265.546
where: short stacking energy: -184.438
Base-Backbone interact. energy: 3.880
local terms energy: -370.591388
where:
bonds (distance) C4'-P energy: -113.007
bonds (distance) P-C4' energy: -129.357
flat angles C4'-P-C4' energy: -97.507
flat angles P-C4'-P energy: -60.446
tors. eta vs tors. theta energy: 29.726
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: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -2629.426435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.426435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.426435 (E_RNA)
where:
Base-Base interactions energy: -1795.024
where: short stacking energy: -750.808
Base-Backbone interact. energy: 1.591
local terms energy: -835.993255
where:
bonds (distance) C4'-P energy: -164.997
bonds (distance) P-C4' energy: -161.973
flat angles C4'-P-C4' energy: -172.512
flat angles P-C4'-P energy: -114.696
tors. eta vs tors. theta energy: -221.815
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: 4
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -2327.851579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.851579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.851579 (E_RNA)
where:
Base-Base interactions energy: -1560.357
where: short stacking energy: -694.087
Base-Backbone interact. energy: 0.913
local terms energy: -768.407021
where:
bonds (distance) C4'-P energy: -150.654
bonds (distance) P-C4' energy: -141.057
flat angles C4'-P-C4' energy: -163.329
flat angles P-C4'-P energy: -107.678
tors. eta vs tors. theta energy: -205.689
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: 9
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -2182.203740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.203740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.203740 (E_RNA)
where:
Base-Base interactions energy: -1434.917
where: short stacking energy: -617.094
Base-Backbone interact. energy: -4.040
local terms energy: -743.246236
where:
bonds (distance) C4'-P energy: -154.163
bonds (distance) P-C4' energy: -140.740
flat angles C4'-P-C4' energy: -151.795
flat angles P-C4'-P energy: -107.048
tors. eta vs tors. theta energy: -189.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -2100.482501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.482501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.482501 (E_RNA)
where:
Base-Base interactions energy: -1448.551
where: short stacking energy: -575.277
Base-Backbone interact. energy: 2.983
local terms energy: -654.914300
where:
bonds (distance) C4'-P energy: -135.735
bonds (distance) P-C4' energy: -134.793
flat angles C4'-P-C4' energy: -133.781
flat angles P-C4'-P energy: -102.323
tors. eta vs tors. theta energy: -148.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1899.711098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.711098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.711098 (E_RNA)
where:
Base-Base interactions energy: -1276.397
where: short stacking energy: -533.937
Base-Backbone interact. energy: 1.108
local terms energy: -624.422109
where:
bonds (distance) C4'-P energy: -120.112
bonds (distance) P-C4' energy: -153.695
flat angles C4'-P-C4' energy: -140.853
flat angles P-C4'-P energy: -86.750
tors. eta vs tors. theta energy: -123.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1685.055901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.055901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.055901 (E_RNA)
where:
Base-Base interactions energy: -1082.364
where: short stacking energy: -493.603
Base-Backbone interact. energy: 5.694
local terms energy: -608.386065
where:
bonds (distance) C4'-P energy: -110.025
bonds (distance) P-C4' energy: -149.264
flat angles C4'-P-C4' energy: -143.289
flat angles P-C4'-P energy: -85.819
tors. eta vs tors. theta energy: -119.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1512.240457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.240457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.240457 (E_RNA)
where:
Base-Base interactions energy: -943.160
where: short stacking energy: -421.128
Base-Backbone interact. energy: -1.090
local terms energy: -567.990823
where:
bonds (distance) C4'-P energy: -138.815
bonds (distance) P-C4' energy: -126.525
flat angles C4'-P-C4' energy: -123.692
flat angles P-C4'-P energy: -92.007
tors. eta vs tors. theta energy: -86.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1062.673262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.673262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.673262 (E_RNA)
where:
Base-Base interactions energy: -587.241
where: short stacking energy: -275.875
Base-Backbone interact. energy: 5.743
local terms energy: -481.175387
where:
bonds (distance) C4'-P energy: -126.308
bonds (distance) P-C4' energy: -145.530
flat angles C4'-P-C4' energy: -125.052
flat angles P-C4'-P energy: -57.730
tors. eta vs tors. theta energy: -26.555
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: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -657.586625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.586625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.586625 (E_RNA)
where:
Base-Base interactions energy: -290.346
where: short stacking energy: -200.357
Base-Backbone interact. energy: -1.177
local terms energy: -366.063383
where:
bonds (distance) C4'-P energy: -120.258
bonds (distance) P-C4' energy: -126.080
flat angles C4'-P-C4' energy: -102.557
flat angles P-C4'-P energy: -39.559
tors. eta vs tors. theta energy: 22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -647.826849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.826849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.826849 (E_RNA)
where:
Base-Base interactions energy: -252.760
where: short stacking energy: -160.822
Base-Backbone interact. energy: 5.506
local terms energy: -400.573269
where:
bonds (distance) C4'-P energy: -128.690
bonds (distance) P-C4' energy: -108.187
flat angles C4'-P-C4' energy: -112.421
flat angles P-C4'-P energy: -59.688
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: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -2617.610405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.610405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.610405 (E_RNA)
where:
Base-Base interactions energy: -1815.097
where: short stacking energy: -746.273
Base-Backbone interact. energy: -2.644
local terms energy: -799.869591
where:
bonds (distance) C4'-P energy: -144.625
bonds (distance) P-C4' energy: -147.225
flat angles C4'-P-C4' energy: -171.117
flat angles P-C4'-P energy: -109.466
tors. eta vs tors. theta energy: -227.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -2300.613660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.613660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.613660 (E_RNA)
where:
Base-Base interactions energy: -1513.458
where: short stacking energy: -662.770
Base-Backbone interact. energy: -0.798
local terms energy: -786.357774
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -160.864
flat angles C4'-P-C4' energy: -176.738
flat angles P-C4'-P energy: -105.554
tors. eta vs tors. theta energy: -201.887
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: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -2245.874551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.874551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.874551 (E_RNA)
where:
Base-Base interactions energy: -1474.799
where: short stacking energy: -666.734
Base-Backbone interact. energy: -1.935
local terms energy: -769.140512
where:
bonds (distance) C4'-P energy: -148.114
bonds (distance) P-C4' energy: -145.298
flat angles C4'-P-C4' energy: -172.931
flat angles P-C4'-P energy: -105.572
tors. eta vs tors. theta energy: -197.226
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: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -2100.976039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.976039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.976039 (E_RNA)
where:
Base-Base interactions energy: -1420.278
where: short stacking energy: -569.159
Base-Backbone interact. energy: -2.913
local terms energy: -677.785398
where:
bonds (distance) C4'-P energy: -131.704
bonds (distance) P-C4' energy: -145.474
flat angles C4'-P-C4' energy: -146.067
flat angles P-C4'-P energy: -94.469
tors. eta vs tors. theta energy: -160.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1964.921181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.921181 (E_RNA)
where:
Base-Base interactions energy: -1315.544
where: short stacking energy: -517.443
Base-Backbone interact. energy: -2.023
local terms energy: -647.353585
where:
bonds (distance) C4'-P energy: -139.498
bonds (distance) P-C4' energy: -156.514
flat angles C4'-P-C4' energy: -130.972
flat angles P-C4'-P energy: -89.983
tors. eta vs tors. theta energy: -130.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1737.058732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.058732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.058732 (E_RNA)
where:
Base-Base interactions energy: -1124.641
where: short stacking energy: -494.438
Base-Backbone interact. energy: -1.927
local terms energy: -610.490515
where:
bonds (distance) C4'-P energy: -126.944
bonds (distance) P-C4' energy: -142.578
flat angles C4'-P-C4' energy: -115.577
flat angles P-C4'-P energy: -93.991
tors. eta vs tors. theta energy: -131.401
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: 99
Temperature: 1.200000
Total energy: -1416.011907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.011907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.011907 (E_RNA)
where:
Base-Base interactions energy: -880.519
where: short stacking energy: -378.968
Base-Backbone interact. energy: -4.814
local terms energy: -530.679240
where:
bonds (distance) C4'-P energy: -124.303
bonds (distance) P-C4' energy: -124.117
flat angles C4'-P-C4' energy: -131.376
flat angles P-C4'-P energy: -79.883
tors. eta vs tors. theta energy: -71.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -1144.550732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.550732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.550732 (E_RNA)
where:
Base-Base interactions energy: -659.268
where: short stacking energy: -326.747
Base-Backbone interact. energy: 0.656
local terms energy: -485.938861
where:
bonds (distance) C4'-P energy: -130.649
bonds (distance) P-C4' energy: -122.895
flat angles C4'-P-C4' energy: -114.590
flat angles P-C4'-P energy: -73.400
tors. eta vs tors. theta energy: -44.404
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: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -752.893607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.893607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.893607 (E_RNA)
where:
Base-Base interactions energy: -317.644
where: short stacking energy: -219.663
Base-Backbone interact. energy: -0.535
local terms energy: -434.715452
where:
bonds (distance) C4'-P energy: -119.780
bonds (distance) P-C4' energy: -127.040
flat angles C4'-P-C4' energy: -121.107
flat angles P-C4'-P energy: -66.980
tors. eta vs tors. theta energy: 0.191
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: 99
Temperature: 1.350000
Total energy: -650.514540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.514540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.514540 (E_RNA)
where:
Base-Base interactions energy: -262.147
where: short stacking energy: -174.880
Base-Backbone interact. energy: 6.143
local terms energy: -394.510350
where:
bonds (distance) C4'-P energy: -137.587
bonds (distance) P-C4' energy: -123.915
flat angles C4'-P-C4' energy: -105.718
flat angles P-C4'-P energy: -49.415
tors. eta vs tors. theta energy: 22.126
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: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -2595.580707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.580707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.580707 (E_RNA)
where:
Base-Base interactions energy: -1767.838
where: short stacking energy: -726.322
Base-Backbone interact. energy: -4.850
local terms energy: -822.892534
where:
bonds (distance) C4'-P energy: -150.905
bonds (distance) P-C4' energy: -151.103
flat angles C4'-P-C4' energy: -174.869
flat angles P-C4'-P energy: -126.038
tors. eta vs tors. theta energy: -219.978
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: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -2346.321662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.321662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.321662 (E_RNA)
where:
Base-Base interactions energy: -1561.278
where: short stacking energy: -710.049
Base-Backbone interact. energy: -5.310
local terms energy: -779.733525
where:
bonds (distance) C4'-P energy: -148.130
bonds (distance) P-C4' energy: -150.208
flat angles C4'-P-C4' energy: -177.057
flat angles P-C4'-P energy: -99.132
tors. eta vs tors. theta energy: -205.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -2213.709607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.709607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.709607 (E_RNA)
where:
Base-Base interactions energy: -1453.284
where: short stacking energy: -622.350
Base-Backbone interact. energy: 0.765
local terms energy: -761.190247
where:
bonds (distance) C4'-P energy: -142.191
bonds (distance) P-C4' energy: -154.903
flat angles C4'-P-C4' energy: -170.866
flat angles P-C4'-P energy: -110.298
tors. eta vs tors. theta energy: -182.933
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: 4, replica: 5
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -2215.264843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.264843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.264843 (E_RNA)
where:
Base-Base interactions energy: -1520.020
where: short stacking energy: -590.701
Base-Backbone interact. energy: -0.357
local terms energy: -694.888051
where:
bonds (distance) C4'-P energy: -139.474
bonds (distance) P-C4' energy: -139.443
flat angles C4'-P-C4' energy: -150.617
flat angles P-C4'-P energy: -98.281
tors. eta vs tors. theta energy: -167.073
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: 5, replica: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1972.790600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.790600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.790600 (E_RNA)
where:
Base-Base interactions energy: -1323.363
where: short stacking energy: -536.593
Base-Backbone interact. energy: -0.951
local terms energy: -648.476814
where:
bonds (distance) C4'-P energy: -127.677
bonds (distance) P-C4' energy: -142.504
flat angles C4'-P-C4' energy: -150.959
flat angles P-C4'-P energy: -99.256
tors. eta vs tors. theta energy: -128.080
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: 8
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1677.771810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.771810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.771810 (E_RNA)
where:
Base-Base interactions energy: -1077.030
where: short stacking energy: -487.322
Base-Backbone interact. energy: -1.732
local terms energy: -599.010173
where:
bonds (distance) C4'-P energy: -131.635
bonds (distance) P-C4' energy: -124.286
flat angles C4'-P-C4' energy: -138.550
flat angles P-C4'-P energy: -88.633
tors. eta vs tors. theta energy: -115.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1469.411328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.411328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.411328 (E_RNA)
where:
Base-Base interactions energy: -931.951
where: short stacking energy: -429.836
Base-Backbone interact. energy: 2.674
local terms energy: -540.134843
where:
bonds (distance) C4'-P energy: -132.194
bonds (distance) P-C4' energy: -105.839
flat angles C4'-P-C4' energy: -144.523
flat angles P-C4'-P energy: -68.509
tors. eta vs tors. theta energy: -89.070
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: 7
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -1151.523333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.523333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.523333 (E_RNA)
where:
Base-Base interactions energy: -635.143
where: short stacking energy: -295.260
Base-Backbone interact. energy: -0.387
local terms energy: -515.993831
where:
bonds (distance) C4'-P energy: -121.146
bonds (distance) P-C4' energy: -141.374
flat angles C4'-P-C4' energy: -137.400
flat angles P-C4'-P energy: -71.652
tors. eta vs tors. theta energy: -44.421
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: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -690.177489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.177489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.177489 (E_RNA)
where:
Base-Base interactions energy: -244.123
where: short stacking energy: -150.324
Base-Backbone interact. energy: 0.883
local terms energy: -446.937001
where:
bonds (distance) C4'-P energy: -123.407
bonds (distance) P-C4' energy: -143.420
flat angles C4'-P-C4' energy: -116.867
flat angles P-C4'-P energy: -70.807
tors. eta vs tors. theta energy: 7.564
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: 100
Temperature: 1.350000
Total energy: -630.022827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.022827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.022827 (E_RNA)
where:
Base-Base interactions energy: -247.850
where: short stacking energy: -159.066
Base-Backbone interact. energy: 3.332
local terms energy: -385.504521
where:
bonds (distance) C4'-P energy: -112.474
bonds (distance) P-C4' energy: -139.868
flat angles C4'-P-C4' energy: -93.590
flat angles P-C4'-P energy: -66.606
tors. eta vs tors. theta energy: 27.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -2602.837659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.837659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.837659 (E_RNA)
where:
Base-Base interactions energy: -1792.161
where: short stacking energy: -744.880
Base-Backbone interact. energy: -3.840
local terms energy: -806.836197
where:
bonds (distance) C4'-P energy: -144.114
bonds (distance) P-C4' energy: -156.498
flat angles C4'-P-C4' energy: -162.204
flat angles P-C4'-P energy: -116.612
tors. eta vs tors. theta energy: -227.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -2354.340265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.340265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.340265 (E_RNA)
where:
Base-Base interactions energy: -1595.705
where: short stacking energy: -669.824
Base-Backbone interact. energy: 1.744
local terms energy: -760.378544
where:
bonds (distance) C4'-P energy: -144.495
bonds (distance) P-C4' energy: -145.742
flat angles C4'-P-C4' energy: -163.857
flat angles P-C4'-P energy: -119.606
tors. eta vs tors. theta energy: -186.679
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: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -2206.938912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.938912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.938912 (E_RNA)
where:
Base-Base interactions energy: -1491.025
where: short stacking energy: -618.259
Base-Backbone interact. energy: -2.721
local terms energy: -713.192765
where:
bonds (distance) C4'-P energy: -136.295
bonds (distance) P-C4' energy: -148.164
flat angles C4'-P-C4' energy: -163.081
flat angles P-C4'-P energy: -86.946
tors. eta vs tors. theta energy: -178.707
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: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -2198.921858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.921858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.921858 (E_RNA)
where:
Base-Base interactions energy: -1494.589
where: short stacking energy: -591.405
Base-Backbone interact. energy: -0.749
local terms energy: -703.584227
where:
bonds (distance) C4'-P energy: -138.110
bonds (distance) P-C4' energy: -136.552
flat angles C4'-P-C4' energy: -156.617
flat angles P-C4'-P energy: -99.066
tors. eta vs tors. theta energy: -173.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1960.267232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.267232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.267232 (E_RNA)
where:
Base-Base interactions energy: -1331.166
where: short stacking energy: -523.482
Base-Backbone interact. energy: -1.171
local terms energy: -627.930784
where:
bonds (distance) C4'-P energy: -125.779
bonds (distance) P-C4' energy: -135.397
flat angles C4'-P-C4' energy: -138.816
flat angles P-C4'-P energy: -93.388
tors. eta vs tors. theta energy: -134.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1649.836832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.836832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.836832 (E_RNA)
where:
Base-Base interactions energy: -1062.038
where: short stacking energy: -483.522
Base-Backbone interact. energy: -1.035
local terms energy: -586.763972
where:
bonds (distance) C4'-P energy: -124.165
bonds (distance) P-C4' energy: -139.001
flat angles C4'-P-C4' energy: -144.226
flat angles P-C4'-P energy: -76.238
tors. eta vs tors. theta energy: -103.134
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: 101
Temperature: 1.200000
Total energy: -1456.608042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.608042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.608042 (E_RNA)
where:
Base-Base interactions energy: -920.402
where: short stacking energy: -411.946
Base-Backbone interact. energy: -5.010
local terms energy: -531.196686
where:
bonds (distance) C4'-P energy: -125.271
bonds (distance) P-C4' energy: -135.142
flat angles C4'-P-C4' energy: -93.605
flat angles P-C4'-P energy: -82.781
tors. eta vs tors. theta energy: -94.398
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: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1173.057584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.057584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.057584 (E_RNA)
where:
Base-Base interactions energy: -659.671
where: short stacking energy: -334.621
Base-Backbone interact. energy: 3.376
local terms energy: -516.762837
where:
bonds (distance) C4'-P energy: -130.182
bonds (distance) P-C4' energy: -129.286
flat angles C4'-P-C4' energy: -118.966
flat angles P-C4'-P energy: -72.393
tors. eta vs tors. theta energy: -65.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -685.476448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.476448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.476448 (E_RNA)
where:
Base-Base interactions energy: -290.317
where: short stacking energy: -178.422
Base-Backbone interact. energy: -2.961
local terms energy: -392.198468
where:
bonds (distance) C4'-P energy: -118.771
bonds (distance) P-C4' energy: -118.725
flat angles C4'-P-C4' energy: -119.044
flat angles P-C4'-P energy: -57.639
tors. eta vs tors. theta energy: 21.981
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: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -641.245448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.245448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.245448 (E_RNA)
where:
Base-Base interactions energy: -251.964
where: short stacking energy: -150.025
Base-Backbone interact. energy: 4.097
local terms energy: -393.378117
where:
bonds (distance) C4'-P energy: -126.630
bonds (distance) P-C4' energy: -114.587
flat angles C4'-P-C4' energy: -106.392
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: 25.845
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: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2603.262713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.262713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.262713 (E_RNA)
where:
Base-Base interactions energy: -1784.818
where: short stacking energy: -726.876
Base-Backbone interact. energy: 1.854
local terms energy: -820.298835
where:
bonds (distance) C4'-P energy: -154.369
bonds (distance) P-C4' energy: -159.251
flat angles C4'-P-C4' energy: -166.714
flat angles P-C4'-P energy: -118.560
tors. eta vs tors. theta energy: -221.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -2367.812575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.812575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.812575 (E_RNA)
where:
Base-Base interactions energy: -1594.030
where: short stacking energy: -684.370
Base-Backbone interact. energy: -0.986
local terms energy: -772.796203
where:
bonds (distance) C4'-P energy: -130.284
bonds (distance) P-C4' energy: -159.112
flat angles C4'-P-C4' energy: -167.767
flat angles P-C4'-P energy: -116.535
tors. eta vs tors. theta energy: -199.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -2235.410514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.410514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.410514 (E_RNA)
where:
Base-Base interactions energy: -1477.365
where: short stacking energy: -622.507
Base-Backbone interact. energy: -2.808
local terms energy: -755.236839
where:
bonds (distance) C4'-P energy: -151.022
bonds (distance) P-C4' energy: -159.019
flat angles C4'-P-C4' energy: -166.504
flat angles P-C4'-P energy: -93.565
tors. eta vs tors. theta energy: -185.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -2179.817414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.817414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.817414 (E_RNA)
where:
Base-Base interactions energy: -1515.261
where: short stacking energy: -567.867
Base-Backbone interact. energy: -5.735
local terms energy: -658.821882
where:
bonds (distance) C4'-P energy: -122.781
bonds (distance) P-C4' energy: -142.140
flat angles C4'-P-C4' energy: -149.688
flat angles P-C4'-P energy: -83.609
tors. eta vs tors. theta energy: -160.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -2013.533056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.533056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.533056 (E_RNA)
where:
Base-Base interactions energy: -1324.875
where: short stacking energy: -525.345
Base-Backbone interact. energy: -3.835
local terms energy: -684.822958
where:
bonds (distance) C4'-P energy: -141.645
bonds (distance) P-C4' energy: -130.568
flat angles C4'-P-C4' energy: -166.060
flat angles P-C4'-P energy: -100.780
tors. eta vs tors. theta energy: -145.769
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: 8
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1703.717281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.717281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.717281 (E_RNA)
where:
Base-Base interactions energy: -1096.831
where: short stacking energy: -489.878
Base-Backbone interact. energy: 1.249
local terms energy: -608.135102
where:
bonds (distance) C4'-P energy: -124.891
bonds (distance) P-C4' energy: -130.559
flat angles C4'-P-C4' energy: -149.787
flat angles P-C4'-P energy: -83.154
tors. eta vs tors. theta energy: -119.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1443.123103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.123103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.123103 (E_RNA)
where:
Base-Base interactions energy: -911.468
where: short stacking energy: -415.732
Base-Backbone interact. energy: -3.263
local terms energy: -528.391510
where:
bonds (distance) C4'-P energy: -104.749
bonds (distance) P-C4' energy: -130.826
flat angles C4'-P-C4' energy: -139.149
flat angles P-C4'-P energy: -68.072
tors. eta vs tors. theta energy: -85.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1219.716390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.716390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.716390 (E_RNA)
where:
Base-Base interactions energy: -727.966
where: short stacking energy: -356.276
Base-Backbone interact. energy: 1.390
local terms energy: -493.140641
where:
bonds (distance) C4'-P energy: -124.542
bonds (distance) P-C4' energy: -141.092
flat angles C4'-P-C4' energy: -102.820
flat angles P-C4'-P energy: -67.994
tors. eta vs tors. theta energy: -56.693
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: 102
Temperature: 1.300000
Total energy: -732.493521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.493521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.493521 (E_RNA)
where:
Base-Base interactions energy: -313.839
where: short stacking energy: -216.168
Base-Backbone interact. energy: -1.139
local terms energy: -417.515327
where:
bonds (distance) C4'-P energy: -127.109
bonds (distance) P-C4' energy: -127.563
flat angles C4'-P-C4' energy: -117.815
flat angles P-C4'-P energy: -38.398
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -665.808835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.808835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.808835 (E_RNA)
where:
Base-Base interactions energy: -336.924
where: short stacking energy: -217.317
Base-Backbone interact. energy: 4.238
local terms energy: -333.123319
where:
bonds (distance) C4'-P energy: -117.201
bonds (distance) P-C4' energy: -108.817
flat angles C4'-P-C4' energy: -83.010
flat angles P-C4'-P energy: -38.350
tors. eta vs tors. theta energy: 14.254
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: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2586.451809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.451809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.451809 (E_RNA)
where:
Base-Base interactions energy: -1767.966
where: short stacking energy: -730.433
Base-Backbone interact. energy: -2.464
local terms energy: -816.021405
where:
bonds (distance) C4'-P energy: -133.168
bonds (distance) P-C4' energy: -157.222
flat angles C4'-P-C4' energy: -181.539
flat angles P-C4'-P energy: -119.875
tors. eta vs tors. theta energy: -224.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -2395.169055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.169055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.169055 (E_RNA)
where:
Base-Base interactions energy: -1626.811
where: short stacking energy: -701.683
Base-Backbone interact. energy: -2.402
local terms energy: -765.955117
where:
bonds (distance) C4'-P energy: -135.595
bonds (distance) P-C4' energy: -148.851
flat angles C4'-P-C4' energy: -160.944
flat angles P-C4'-P energy: -108.275
tors. eta vs tors. theta energy: -212.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -2192.197440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.197440 (E_RNA)
where:
Base-Base interactions energy: -1480.670
where: short stacking energy: -615.887
Base-Backbone interact. energy: -2.097
local terms energy: -709.430294
where:
bonds (distance) C4'-P energy: -131.122
bonds (distance) P-C4' energy: -150.505
flat angles C4'-P-C4' energy: -151.666
flat angles P-C4'-P energy: -101.539
tors. eta vs tors. theta energy: -174.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -2069.042731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.042731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.042731 (E_RNA)
where:
Base-Base interactions energy: -1376.768
where: short stacking energy: -552.877
Base-Backbone interact. energy: -0.545
local terms energy: -691.729915
where:
bonds (distance) C4'-P energy: -145.998
bonds (distance) P-C4' energy: -148.877
flat angles C4'-P-C4' energy: -149.365
flat angles P-C4'-P energy: -94.545
tors. eta vs tors. theta energy: -152.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -2007.700290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.700290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.700290 (E_RNA)
where:
Base-Base interactions energy: -1395.983
where: short stacking energy: -537.648
Base-Backbone interact. energy: -3.828
local terms energy: -607.889264
where:
bonds (distance) C4'-P energy: -119.423
bonds (distance) P-C4' energy: -127.811
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -80.187
tors. eta vs tors. theta energy: -140.679
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: 8
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1667.684816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.684816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.684816 (E_RNA)
where:
Base-Base interactions energy: -1060.895
where: short stacking energy: -474.970
Base-Backbone interact. energy: -4.047
local terms energy: -602.742890
where:
bonds (distance) C4'-P energy: -132.045
bonds (distance) P-C4' energy: -117.650
flat angles C4'-P-C4' energy: -126.742
flat angles P-C4'-P energy: -104.266
tors. eta vs tors. theta energy: -122.040
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: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1475.087509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.087509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.087509 (E_RNA)
where:
Base-Base interactions energy: -892.338
where: short stacking energy: -407.600
Base-Backbone interact. energy: -4.082
local terms energy: -578.667260
where:
bonds (distance) C4'-P energy: -143.284
bonds (distance) P-C4' energy: -129.763
flat angles C4'-P-C4' energy: -146.537
flat angles P-C4'-P energy: -76.167
tors. eta vs tors. theta energy: -82.915
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: 7
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1244.402331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.402331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.402331 (E_RNA)
where:
Base-Base interactions energy: -743.959
where: short stacking energy: -369.250
Base-Backbone interact. energy: 2.150
local terms energy: -502.593336
where:
bonds (distance) C4'-P energy: -136.650
bonds (distance) P-C4' energy: -103.360
flat angles C4'-P-C4' energy: -118.885
flat angles P-C4'-P energy: -83.094
tors. eta vs tors. theta energy: -60.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -691.780923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.780923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.780923 (E_RNA)
where:
Base-Base interactions energy: -287.680
where: short stacking energy: -180.591
Base-Backbone interact. energy: 6.603
local terms energy: -410.703117
where:
bonds (distance) C4'-P energy: -129.295
bonds (distance) P-C4' energy: -134.883
flat angles C4'-P-C4' energy: -97.446
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: 19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -631.416062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.416062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.416062 (E_RNA)
where:
Base-Base interactions energy: -218.467
where: short stacking energy: -119.626
Base-Backbone interact. energy: 3.544
local terms energy: -416.492699
where:
bonds (distance) C4'-P energy: -146.989
bonds (distance) P-C4' energy: -137.611
flat angles C4'-P-C4' energy: -101.209
flat angles P-C4'-P energy: -71.121
tors. eta vs tors. theta energy: 40.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -2589.141614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.141614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.141614 (E_RNA)
where:
Base-Base interactions energy: -1764.838
where: short stacking energy: -741.863
Base-Backbone interact. energy: -0.355
local terms energy: -823.948835
where:
bonds (distance) C4'-P energy: -157.389
bonds (distance) P-C4' energy: -140.091
flat angles C4'-P-C4' energy: -177.537
flat angles P-C4'-P energy: -123.805
tors. eta vs tors. theta energy: -225.126
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: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -2369.849063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.849063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.849063 (E_RNA)
where:
Base-Base interactions energy: -1578.486
where: short stacking energy: -674.509
Base-Backbone interact. energy: -4.954
local terms energy: -786.408164
where:
bonds (distance) C4'-P energy: -161.618
bonds (distance) P-C4' energy: -134.433
flat angles C4'-P-C4' energy: -177.070
flat angles P-C4'-P energy: -110.027
tors. eta vs tors. theta energy: -203.260
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: 104
Temperature: 1.000000
Total energy: -2203.104081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.104081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.104081 (E_RNA)
where:
Base-Base interactions energy: -1475.936
where: short stacking energy: -628.642
Base-Backbone interact. energy: -0.201
local terms energy: -726.967004
where:
bonds (distance) C4'-P energy: -148.273
bonds (distance) P-C4' energy: -147.016
flat angles C4'-P-C4' energy: -170.551
flat angles P-C4'-P energy: -87.928
tors. eta vs tors. theta energy: -173.198
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: 3
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -2105.922280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.922280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.922280 (E_RNA)
where:
Base-Base interactions energy: -1430.044
where: short stacking energy: -542.476
Base-Backbone interact. energy: -3.081
local terms energy: -672.797106
where:
bonds (distance) C4'-P energy: -147.406
bonds (distance) P-C4' energy: -126.333
flat angles C4'-P-C4' energy: -157.264
flat angles P-C4'-P energy: -92.194
tors. eta vs tors. theta energy: -149.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1971.124697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.124697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.124697 (E_RNA)
where:
Base-Base interactions energy: -1342.144
where: short stacking energy: -534.523
Base-Backbone interact. energy: -0.199
local terms energy: -628.781545
where:
bonds (distance) C4'-P energy: -136.688
bonds (distance) P-C4' energy: -135.252
flat angles C4'-P-C4' energy: -139.132
flat angles P-C4'-P energy: -90.703
tors. eta vs tors. theta energy: -127.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1726.232770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.232770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.232770 (E_RNA)
where:
Base-Base interactions energy: -1074.185
where: short stacking energy: -499.605
Base-Backbone interact. energy: 1.425
local terms energy: -653.472388
where:
bonds (distance) C4'-P energy: -127.183
bonds (distance) P-C4' energy: -155.587
flat angles C4'-P-C4' energy: -157.430
flat angles P-C4'-P energy: -89.396
tors. eta vs tors. theta energy: -123.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1387.807601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.807601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.807601 (E_RNA)
where:
Base-Base interactions energy: -859.854
where: short stacking energy: -403.785
Base-Backbone interact. energy: 0.165
local terms energy: -528.118845
where:
bonds (distance) C4'-P energy: -107.650
bonds (distance) P-C4' energy: -122.012
flat angles C4'-P-C4' energy: -134.198
flat angles P-C4'-P energy: -78.822
tors. eta vs tors. theta energy: -85.437
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: 7
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1222.651064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.651064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.651064 (E_RNA)
where:
Base-Base interactions energy: -699.903
where: short stacking energy: -316.654
Base-Backbone interact. energy: -0.805
local terms energy: -521.942410
where:
bonds (distance) C4'-P energy: -132.945
bonds (distance) P-C4' energy: -127.242
flat angles C4'-P-C4' energy: -119.743
flat angles P-C4'-P energy: -86.134
tors. eta vs tors. theta energy: -55.878
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: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -722.130035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.130035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.130035 (E_RNA)
where:
Base-Base interactions energy: -275.836
where: short stacking energy: -187.633
Base-Backbone interact. energy: 4.719
local terms energy: -451.013627
where:
bonds (distance) C4'-P energy: -144.472
bonds (distance) P-C4' energy: -124.003
flat angles C4'-P-C4' energy: -120.622
flat angles P-C4'-P energy: -62.411
tors. eta vs tors. theta energy: 0.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -615.559852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.559852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.559852 (E_RNA)
where:
Base-Base interactions energy: -224.401
where: short stacking energy: -135.009
Base-Backbone interact. energy: 5.012
local terms energy: -396.170370
where:
bonds (distance) C4'-P energy: -128.998
bonds (distance) P-C4' energy: -134.316
flat angles C4'-P-C4' energy: -94.228
flat angles P-C4'-P energy: -65.219
tors. eta vs tors. theta energy: 26.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2602.048308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.048308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.048308 (E_RNA)
where:
Base-Base interactions energy: -1789.278
where: short stacking energy: -754.183
Base-Backbone interact. energy: 1.436
local terms energy: -814.206809
where:
bonds (distance) C4'-P energy: -147.775
bonds (distance) P-C4' energy: -160.586
flat angles C4'-P-C4' energy: -167.732
flat angles P-C4'-P energy: -116.954
tors. eta vs tors. theta energy: -221.160
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: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -2396.667413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.667413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.667413 (E_RNA)
where:
Base-Base interactions energy: -1583.598
where: short stacking energy: -668.982
Base-Backbone interact. energy: -3.049
local terms energy: -810.020459
where:
bonds (distance) C4'-P energy: -167.536
bonds (distance) P-C4' energy: -147.505
flat angles C4'-P-C4' energy: -179.035
flat angles P-C4'-P energy: -110.503
tors. eta vs tors. theta energy: -205.441
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: 9
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -2211.198355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.198355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.198355 (E_RNA)
where:
Base-Base interactions energy: -1473.156
where: short stacking energy: -649.881
Base-Backbone interact. energy: 1.624
local terms energy: -739.666500
where:
bonds (distance) C4'-P energy: -140.438
bonds (distance) P-C4' energy: -146.098
flat angles C4'-P-C4' energy: -164.160
flat angles P-C4'-P energy: -108.501
tors. eta vs tors. theta energy: -180.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -2105.681616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.681616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.681616 (E_RNA)
where:
Base-Base interactions energy: -1421.064
where: short stacking energy: -591.104
Base-Backbone interact. energy: -3.677
local terms energy: -680.941379
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -149.975
flat angles C4'-P-C4' energy: -152.522
flat angles P-C4'-P energy: -83.962
tors. eta vs tors. theta energy: -165.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -2042.987862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.987862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.987862 (E_RNA)
where:
Base-Base interactions energy: -1395.483
where: short stacking energy: -546.573
Base-Backbone interact. energy: -1.728
local terms energy: -645.777435
where:
bonds (distance) C4'-P energy: -126.604
bonds (distance) P-C4' energy: -139.078
flat angles C4'-P-C4' energy: -162.040
flat angles P-C4'-P energy: -84.802
tors. eta vs tors. theta energy: -133.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1676.306461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.306461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.306461 (E_RNA)
where:
Base-Base interactions energy: -1029.762
where: short stacking energy: -457.842
Base-Backbone interact. energy: -0.867
local terms energy: -645.676651
where:
bonds (distance) C4'-P energy: -128.083
bonds (distance) P-C4' energy: -141.878
flat angles C4'-P-C4' energy: -151.825
flat angles P-C4'-P energy: -97.511
tors. eta vs tors. theta energy: -126.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -1335.013842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.013842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.013842 (E_RNA)
where:
Base-Base interactions energy: -815.624
where: short stacking energy: -387.410
Base-Backbone interact. energy: -1.864
local terms energy: -517.526623
where:
bonds (distance) C4'-P energy: -106.251
bonds (distance) P-C4' energy: -125.652
flat angles C4'-P-C4' energy: -144.657
flat angles P-C4'-P energy: -64.991
tors. eta vs tors. theta energy: -75.976
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: 7
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1191.804710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.804710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.804710 (E_RNA)
where:
Base-Base interactions energy: -687.268
where: short stacking energy: -315.929
Base-Backbone interact. energy: 7.188
local terms energy: -511.724510
where:
bonds (distance) C4'-P energy: -134.423
bonds (distance) P-C4' energy: -122.029
flat angles C4'-P-C4' energy: -114.224
flat angles P-C4'-P energy: -82.645
tors. eta vs tors. theta energy: -58.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -732.088462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.088462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.088462 (E_RNA)
where:
Base-Base interactions energy: -330.374
where: short stacking energy: -231.274
Base-Backbone interact. energy: 3.139
local terms energy: -404.853755
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -121.042
flat angles C4'-P-C4' energy: -118.635
flat angles P-C4'-P energy: -55.251
tors. eta vs tors. theta energy: -1.479
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: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -633.246186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.246186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.246186 (E_RNA)
where:
Base-Base interactions energy: -266.289
where: short stacking energy: -176.303
Base-Backbone interact. energy: -2.663
local terms energy: -364.293895
where:
bonds (distance) C4'-P energy: -112.643
bonds (distance) P-C4' energy: -124.892
flat angles C4'-P-C4' energy: -105.852
flat angles P-C4'-P energy: -49.891
tors. eta vs tors. theta energy: 28.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -2586.866731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.866731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.866731 (E_RNA)
where:
Base-Base interactions energy: -1761.885
where: short stacking energy: -741.833
Base-Backbone interact. energy: -3.153
local terms energy: -821.827889
where:
bonds (distance) C4'-P energy: -154.335
bonds (distance) P-C4' energy: -166.492
flat angles C4'-P-C4' energy: -163.336
flat angles P-C4'-P energy: -110.254
tors. eta vs tors. theta energy: -227.410
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: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -2378.681025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.681025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.681025 (E_RNA)
where:
Base-Base interactions energy: -1597.815
where: short stacking energy: -687.172
Base-Backbone interact. energy: -2.888
local terms energy: -777.977929
where:
bonds (distance) C4'-P energy: -131.363
bonds (distance) P-C4' energy: -158.051
flat angles C4'-P-C4' energy: -179.967
flat angles P-C4'-P energy: -106.731
tors. eta vs tors. theta energy: -201.866
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: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -2252.978007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.978007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.978007 (E_RNA)
where:
Base-Base interactions energy: -1491.607
where: short stacking energy: -648.396
Base-Backbone interact. energy: -4.426
local terms energy: -756.944766
where:
bonds (distance) C4'-P energy: -133.653
bonds (distance) P-C4' energy: -153.915
flat angles C4'-P-C4' energy: -170.583
flat angles P-C4'-P energy: -107.308
tors. eta vs tors. theta energy: -191.486
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: 3
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -2140.524281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.524281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.524281 (E_RNA)
where:
Base-Base interactions energy: -1478.105
where: short stacking energy: -627.045
Base-Backbone interact. energy: -3.087
local terms energy: -659.332374
where:
bonds (distance) C4'-P energy: -107.384
bonds (distance) P-C4' energy: -147.796
flat angles C4'-P-C4' energy: -145.560
flat angles P-C4'-P energy: -82.954
tors. eta vs tors. theta energy: -175.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -2009.894289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.894289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.894289 (E_RNA)
where:
Base-Base interactions energy: -1357.396
where: short stacking energy: -511.586
Base-Backbone interact. energy: 3.593
local terms energy: -656.090495
where:
bonds (distance) C4'-P energy: -123.091
bonds (distance) P-C4' energy: -151.619
flat angles C4'-P-C4' energy: -142.032
flat angles P-C4'-P energy: -104.615
tors. eta vs tors. theta energy: -134.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1715.586890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.586890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.586890 (E_RNA)
where:
Base-Base interactions energy: -1070.986
where: short stacking energy: -486.909
Base-Backbone interact. energy: -2.268
local terms energy: -642.332628
where:
bonds (distance) C4'-P energy: -132.951
bonds (distance) P-C4' energy: -145.301
flat angles C4'-P-C4' energy: -149.216
flat angles P-C4'-P energy: -85.280
tors. eta vs tors. theta energy: -129.586
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: 106
Temperature: 1.200000
Total energy: -1351.802269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.802269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.802269 (E_RNA)
where:
Base-Base interactions energy: -818.143
where: short stacking energy: -351.965
Base-Backbone interact. energy: 4.058
local terms energy: -537.717732
where:
bonds (distance) C4'-P energy: -125.163
bonds (distance) P-C4' energy: -135.391
flat angles C4'-P-C4' energy: -139.250
flat angles P-C4'-P energy: -75.586
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: 8, replica: 7
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1152.657115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.657115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.657115 (E_RNA)
where:
Base-Base interactions energy: -643.709
where: short stacking energy: -329.121
Base-Backbone interact. energy: 0.694
local terms energy: -509.641873
where:
bonds (distance) C4'-P energy: -125.683
bonds (distance) P-C4' energy: -146.029
flat angles C4'-P-C4' energy: -128.409
flat angles P-C4'-P energy: -55.909
tors. eta vs tors. theta energy: -53.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -749.174124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.174124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.174124 (E_RNA)
where:
Base-Base interactions energy: -335.059
where: short stacking energy: -205.513
Base-Backbone interact. energy: 0.914
local terms energy: -415.029544
where:
bonds (distance) C4'-P energy: -111.098
bonds (distance) P-C4' energy: -117.082
flat angles C4'-P-C4' energy: -120.212
flat angles P-C4'-P energy: -65.579
tors. eta vs tors. theta energy: -1.059
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: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -631.380862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.380862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.380862 (E_RNA)
where:
Base-Base interactions energy: -245.936
where: short stacking energy: -168.846
Base-Backbone interact. energy: 2.256
local terms energy: -387.701076
where:
bonds (distance) C4'-P energy: -120.787
bonds (distance) P-C4' energy: -151.236
flat angles C4'-P-C4' energy: -91.315
flat angles P-C4'-P energy: -50.111
tors. eta vs tors. theta energy: 25.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -2609.425302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.425302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.425302 (E_RNA)
where:
Base-Base interactions energy: -1805.430
where: short stacking energy: -764.589
Base-Backbone interact. energy: -3.460
local terms energy: -800.535768
where:
bonds (distance) C4'-P energy: -145.197
bonds (distance) P-C4' energy: -129.298
flat angles C4'-P-C4' energy: -179.982
flat angles P-C4'-P energy: -118.056
tors. eta vs tors. theta energy: -228.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -2415.658094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.658094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.658094 (E_RNA)
where:
Base-Base interactions energy: -1640.214
where: short stacking energy: -707.511
Base-Backbone interact. energy: -1.805
local terms energy: -773.639309
where:
bonds (distance) C4'-P energy: -141.902
bonds (distance) P-C4' energy: -148.574
flat angles C4'-P-C4' energy: -158.812
flat angles P-C4'-P energy: -110.490
tors. eta vs tors. theta energy: -213.861
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: 107
Temperature: 1.000000
Total energy: -2192.364147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.364147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.364147 (E_RNA)
where:
Base-Base interactions energy: -1445.186
where: short stacking energy: -632.970
Base-Backbone interact. energy: -4.318
local terms energy: -742.859480
where:
bonds (distance) C4'-P energy: -138.196
bonds (distance) P-C4' energy: -150.080
flat angles C4'-P-C4' energy: -160.504
flat angles P-C4'-P energy: -103.246
tors. eta vs tors. theta energy: -190.834
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: 3
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -2159.378435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.378435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.378435 (E_RNA)
where:
Base-Base interactions energy: -1464.362
where: short stacking energy: -601.605
Base-Backbone interact. energy: 1.757
local terms energy: -696.773640
where:
bonds (distance) C4'-P energy: -145.770
bonds (distance) P-C4' energy: -128.390
flat angles C4'-P-C4' energy: -145.551
flat angles P-C4'-P energy: -95.550
tors. eta vs tors. theta energy: -181.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1960.307724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.307724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.307724 (E_RNA)
where:
Base-Base interactions energy: -1331.260
where: short stacking energy: -522.651
Base-Backbone interact. energy: 2.830
local terms energy: -631.877392
where:
bonds (distance) C4'-P energy: -116.779
bonds (distance) P-C4' energy: -142.415
flat angles C4'-P-C4' energy: -133.755
flat angles P-C4'-P energy: -88.763
tors. eta vs tors. theta energy: -150.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1728.682113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.682113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.682113 (E_RNA)
where:
Base-Base interactions energy: -1137.924
where: short stacking energy: -500.944
Base-Backbone interact. energy: 0.635
local terms energy: -591.393419
where:
bonds (distance) C4'-P energy: -111.447
bonds (distance) P-C4' energy: -144.760
flat angles C4'-P-C4' energy: -131.267
flat angles P-C4'-P energy: -91.478
tors. eta vs tors. theta energy: -112.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1343.706788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.706788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.706788 (E_RNA)
where:
Base-Base interactions energy: -810.513
where: short stacking energy: -403.237
Base-Backbone interact. energy: 2.440
local terms energy: -535.633718
where:
bonds (distance) C4'-P energy: -118.615
bonds (distance) P-C4' energy: -119.468
flat angles C4'-P-C4' energy: -129.776
flat angles P-C4'-P energy: -89.409
tors. eta vs tors. theta energy: -78.366
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: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1132.399391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.399391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.399391 (E_RNA)
where:
Base-Base interactions energy: -628.385
where: short stacking energy: -324.201
Base-Backbone interact. energy: -0.230
local terms energy: -503.784938
where:
bonds (distance) C4'-P energy: -126.042
bonds (distance) P-C4' energy: -134.039
flat angles C4'-P-C4' energy: -111.274
flat angles P-C4'-P energy: -88.298
tors. eta vs tors. theta energy: -44.131
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: 107
Temperature: 1.300000
Total energy: -744.045174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.045174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.045174 (E_RNA)
where:
Base-Base interactions energy: -325.454
where: short stacking energy: -214.712
Base-Backbone interact. energy: -1.959
local terms energy: -416.631974
where:
bonds (distance) C4'-P energy: -120.973
bonds (distance) P-C4' energy: -119.615
flat angles C4'-P-C4' energy: -122.372
flat angles P-C4'-P energy: -46.641
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -613.400495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.400495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.400495 (E_RNA)
where:
Base-Base interactions energy: -258.143
where: short stacking energy: -162.432
Base-Backbone interact. energy: 3.107
local terms energy: -358.365132
where:
bonds (distance) C4'-P energy: -99.592
bonds (distance) P-C4' energy: -128.077
flat angles C4'-P-C4' energy: -88.057
flat angles P-C4'-P energy: -66.463
tors. eta vs tors. theta energy: 23.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -2584.135550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.135550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.135550 (E_RNA)
where:
Base-Base interactions energy: -1769.499
where: short stacking energy: -744.814
Base-Backbone interact. energy: -5.555
local terms energy: -809.081884
where:
bonds (distance) C4'-P energy: -156.404
bonds (distance) P-C4' energy: -134.441
flat angles C4'-P-C4' energy: -174.124
flat angles P-C4'-P energy: -118.553
tors. eta vs tors. theta energy: -225.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -2402.994074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.994074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.994074 (E_RNA)
where:
Base-Base interactions energy: -1597.499
where: short stacking energy: -717.823
Base-Backbone interact. energy: -3.427
local terms energy: -802.067835
where:
bonds (distance) C4'-P energy: -151.037
bonds (distance) P-C4' energy: -156.086
flat angles C4'-P-C4' energy: -179.558
flat angles P-C4'-P energy: -97.221
tors. eta vs tors. theta energy: -218.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -2232.220168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.220168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.220168 (E_RNA)
where:
Base-Base interactions energy: -1532.903
where: short stacking energy: -638.721
Base-Backbone interact. energy: -1.395
local terms energy: -697.922134
where:
bonds (distance) C4'-P energy: -129.615
bonds (distance) P-C4' energy: -133.584
flat angles C4'-P-C4' energy: -153.112
flat angles P-C4'-P energy: -100.637
tors. eta vs tors. theta energy: -180.974
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: 108
Temperature: 1.050000
Total energy: -2203.192446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.192446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.192446 (E_RNA)
where:
Base-Base interactions energy: -1508.783
where: short stacking energy: -611.839
Base-Backbone interact. energy: -0.456
local terms energy: -693.953706
where:
bonds (distance) C4'-P energy: -137.665
bonds (distance) P-C4' energy: -131.832
flat angles C4'-P-C4' energy: -165.456
flat angles P-C4'-P energy: -93.823
tors. eta vs tors. theta energy: -165.178
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: 5
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1970.953237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.953237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.953237 (E_RNA)
where:
Base-Base interactions energy: -1355.194
where: short stacking energy: -576.847
Base-Backbone interact. energy: -6.943
local terms energy: -608.816051
where:
bonds (distance) C4'-P energy: -130.450
bonds (distance) P-C4' energy: -106.874
flat angles C4'-P-C4' energy: -161.043
flat angles P-C4'-P energy: -76.782
tors. eta vs tors. theta energy: -133.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1768.071536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.071536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.071536 (E_RNA)
where:
Base-Base interactions energy: -1147.862
where: short stacking energy: -493.559
Base-Backbone interact. energy: 4.045
local terms energy: -624.254388
where:
bonds (distance) C4'-P energy: -125.381
bonds (distance) P-C4' energy: -124.552
flat angles C4'-P-C4' energy: -138.822
flat angles P-C4'-P energy: -99.555
tors. eta vs tors. theta energy: -135.944
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: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1309.095807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.095807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.095807 (E_RNA)
where:
Base-Base interactions energy: -775.970
where: short stacking energy: -348.065
Base-Backbone interact. energy: 7.652
local terms energy: -540.777608
where:
bonds (distance) C4'-P energy: -133.368
bonds (distance) P-C4' energy: -145.544
flat angles C4'-P-C4' energy: -132.701
flat angles P-C4'-P energy: -76.304
tors. eta vs tors. theta energy: -52.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1168.752981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.752981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.752981 (E_RNA)
where:
Base-Base interactions energy: -681.133
where: short stacking energy: -330.236
Base-Backbone interact. energy: 1.419
local terms energy: -489.039825
where:
bonds (distance) C4'-P energy: -127.165
bonds (distance) P-C4' energy: -134.886
flat angles C4'-P-C4' energy: -121.934
flat angles P-C4'-P energy: -56.152
tors. eta vs tors. theta energy: -48.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -673.558367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.558367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.558367 (E_RNA)
where:
Base-Base interactions energy: -263.584
where: short stacking energy: -160.227
Base-Backbone interact. energy: 0.675
local terms energy: -410.649385
where:
bonds (distance) C4'-P energy: -118.870
bonds (distance) P-C4' energy: -144.219
flat angles C4'-P-C4' energy: -113.660
flat angles P-C4'-P energy: -66.556
tors. eta vs tors. theta energy: 32.657
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: 108
Temperature: 1.350000
Total energy: -613.644329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.644329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.644329 (E_RNA)
where:
Base-Base interactions energy: -234.332
where: short stacking energy: -168.715
Base-Backbone interact. energy: 5.091
local terms energy: -384.403497
where:
bonds (distance) C4'-P energy: -114.637
bonds (distance) P-C4' energy: -136.812
flat angles C4'-P-C4' energy: -93.429
flat angles P-C4'-P energy: -61.967
tors. eta vs tors. theta energy: 22.441
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: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2610.378342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.378342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.378342 (E_RNA)
where:
Base-Base interactions energy: -1789.562
where: short stacking energy: -753.378
Base-Backbone interact. energy: -0.436
local terms energy: -820.380687
where:
bonds (distance) C4'-P energy: -145.314
bonds (distance) P-C4' energy: -151.997
flat angles C4'-P-C4' energy: -172.201
flat angles P-C4'-P energy: -119.604
tors. eta vs tors. theta energy: -231.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -2439.871877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.871877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.871877 (E_RNA)
where:
Base-Base interactions energy: -1656.172
where: short stacking energy: -724.282
Base-Backbone interact. energy: -1.788
local terms energy: -781.912066
where:
bonds (distance) C4'-P energy: -148.780
bonds (distance) P-C4' energy: -145.500
flat angles C4'-P-C4' energy: -160.553
flat angles P-C4'-P energy: -111.091
tors. eta vs tors. theta energy: -215.988
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: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -2249.323887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.323887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.323887 (E_RNA)
where:
Base-Base interactions energy: -1522.598
where: short stacking energy: -628.141
Base-Backbone interact. energy: -2.882
local terms energy: -723.843251
where:
bonds (distance) C4'-P energy: -142.670
bonds (distance) P-C4' energy: -132.819
flat angles C4'-P-C4' energy: -158.005
flat angles P-C4'-P energy: -104.323
tors. eta vs tors. theta energy: -186.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -2120.734847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.734847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.734847 (E_RNA)
where:
Base-Base interactions energy: -1434.945
where: short stacking energy: -633.780
Base-Backbone interact. energy: -5.708
local terms energy: -680.081523
where:
bonds (distance) C4'-P energy: -121.541
bonds (distance) P-C4' energy: -142.046
flat angles C4'-P-C4' energy: -138.692
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -176.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1950.085434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.085434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.085434 (E_RNA)
where:
Base-Base interactions energy: -1317.363
where: short stacking energy: -509.434
Base-Backbone interact. energy: -3.054
local terms energy: -629.669062
where:
bonds (distance) C4'-P energy: -115.217
bonds (distance) P-C4' energy: -131.495
flat angles C4'-P-C4' energy: -145.767
flat angles P-C4'-P energy: -99.335
tors. eta vs tors. theta energy: -137.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1788.741557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.741557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.741557 (E_RNA)
where:
Base-Base interactions energy: -1157.024
where: short stacking energy: -535.421
Base-Backbone interact. energy: 4.782
local terms energy: -636.499705
where:
bonds (distance) C4'-P energy: -112.321
bonds (distance) P-C4' energy: -137.244
flat angles C4'-P-C4' energy: -143.365
flat angles P-C4'-P energy: -91.409
tors. eta vs tors. theta energy: -152.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1348.602572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.602572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.602572 (E_RNA)
where:
Base-Base interactions energy: -837.294
where: short stacking energy: -396.267
Base-Backbone interact. energy: -0.499
local terms energy: -510.810506
where:
bonds (distance) C4'-P energy: -114.799
bonds (distance) P-C4' energy: -113.535
flat angles C4'-P-C4' energy: -126.221
flat angles P-C4'-P energy: -81.317
tors. eta vs tors. theta energy: -74.938
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: 7
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1164.940905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.940905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.940905 (E_RNA)
where:
Base-Base interactions energy: -668.145
where: short stacking energy: -328.418
Base-Backbone interact. energy: -0.990
local terms energy: -495.805635
where:
bonds (distance) C4'-P energy: -125.705
bonds (distance) P-C4' energy: -120.736
flat angles C4'-P-C4' energy: -116.103
flat angles P-C4'-P energy: -80.744
tors. eta vs tors. theta energy: -52.518
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: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -693.979253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.979253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.979253 (E_RNA)
where:
Base-Base interactions energy: -288.598
where: short stacking energy: -161.077
Base-Backbone interact. energy: 1.337
local terms energy: -406.718567
where:
bonds (distance) C4'-P energy: -121.323
bonds (distance) P-C4' energy: -134.274
flat angles C4'-P-C4' energy: -111.796
flat angles P-C4'-P energy: -66.306
tors. eta vs tors. theta energy: 26.980
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: 109
Temperature: 1.350000
Total energy: -616.374541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.374541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.374541 (E_RNA)
where:
Base-Base interactions energy: -267.124
where: short stacking energy: -170.416
Base-Backbone interact. energy: 8.806
local terms energy: -358.056242
where:
bonds (distance) C4'-P energy: -119.815
bonds (distance) P-C4' energy: -98.717
flat angles C4'-P-C4' energy: -104.015
flat angles P-C4'-P energy: -53.305
tors. eta vs tors. theta energy: 17.796
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: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2570.023578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.023578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.023578 (E_RNA)
where:
Base-Base interactions energy: -1755.154
where: short stacking energy: -742.452
Base-Backbone interact. energy: -2.912
local terms energy: -811.957177
where:
bonds (distance) C4'-P energy: -145.633
bonds (distance) P-C4' energy: -165.777
flat angles C4'-P-C4' energy: -168.311
flat angles P-C4'-P energy: -108.953
tors. eta vs tors. theta energy: -223.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -2424.319182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.319182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.319182 (E_RNA)
where:
Base-Base interactions energy: -1626.451
where: short stacking energy: -672.340
Base-Backbone interact. energy: -5.773
local terms energy: -792.095633
where:
bonds (distance) C4'-P energy: -151.793
bonds (distance) P-C4' energy: -153.960
flat angles C4'-P-C4' energy: -170.061
flat angles P-C4'-P energy: -105.561
tors. eta vs tors. theta energy: -210.721
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: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -2216.695848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.695848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.695848 (E_RNA)
where:
Base-Base interactions energy: -1498.865
where: short stacking energy: -623.802
Base-Backbone interact. energy: 3.621
local terms energy: -721.452011
where:
bonds (distance) C4'-P energy: -152.233
bonds (distance) P-C4' energy: -147.520
flat angles C4'-P-C4' energy: -152.650
flat angles P-C4'-P energy: -96.294
tors. eta vs tors. theta energy: -172.755
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: 4, replica: 9
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -2077.283810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.283810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.283810 (E_RNA)
where:
Base-Base interactions energy: -1396.048
where: short stacking energy: -601.166
Base-Backbone interact. energy: -1.891
local terms energy: -679.344594
where:
bonds (distance) C4'-P energy: -145.827
bonds (distance) P-C4' energy: -137.731
flat angles C4'-P-C4' energy: -141.860
flat angles P-C4'-P energy: -86.135
tors. eta vs tors. theta energy: -167.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1942.276187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.276187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.276187 (E_RNA)
where:
Base-Base interactions energy: -1299.878
where: short stacking energy: -539.135
Base-Backbone interact. energy: -1.736
local terms energy: -640.662107
where:
bonds (distance) C4'-P energy: -131.128
bonds (distance) P-C4' energy: -136.716
flat angles C4'-P-C4' energy: -134.601
flat angles P-C4'-P energy: -99.436
tors. eta vs tors. theta energy: -138.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1792.558408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.558408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.558408 (E_RNA)
where:
Base-Base interactions energy: -1131.160
where: short stacking energy: -511.133
Base-Backbone interact. energy: 2.343
local terms energy: -663.741555
where:
bonds (distance) C4'-P energy: -149.233
bonds (distance) P-C4' energy: -140.648
flat angles C4'-P-C4' energy: -122.094
flat angles P-C4'-P energy: -108.612
tors. eta vs tors. theta energy: -143.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1372.407456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.407456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.407456 (E_RNA)
where:
Base-Base interactions energy: -835.611
where: short stacking energy: -401.305
Base-Backbone interact. energy: -1.031
local terms energy: -535.765678
where:
bonds (distance) C4'-P energy: -123.145
bonds (distance) P-C4' energy: -143.936
flat angles C4'-P-C4' energy: -126.108
flat angles P-C4'-P energy: -70.748
tors. eta vs tors. theta energy: -71.828
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: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1162.077911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.077911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.077911 (E_RNA)
where:
Base-Base interactions energy: -639.536
where: short stacking energy: -322.186
Base-Backbone interact. energy: -0.181
local terms energy: -522.360842
where:
bonds (distance) C4'-P energy: -137.111
bonds (distance) P-C4' energy: -137.587
flat angles C4'-P-C4' energy: -127.287
flat angles P-C4'-P energy: -73.713
tors. eta vs tors. theta energy: -46.664
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: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -709.041653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.041653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.041653 (E_RNA)
where:
Base-Base interactions energy: -324.680
where: short stacking energy: -211.255
Base-Backbone interact. energy: 7.310
local terms energy: -391.670982
where:
bonds (distance) C4'-P energy: -118.764
bonds (distance) P-C4' energy: -128.417
flat angles C4'-P-C4' energy: -86.953
flat angles P-C4'-P energy: -62.493
tors. eta vs tors. theta energy: 4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -663.432973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.432973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.432973 (E_RNA)
where:
Base-Base interactions energy: -308.616
where: short stacking energy: -216.324
Base-Backbone interact. energy: 7.591
local terms energy: -362.408263
where:
bonds (distance) C4'-P energy: -127.777
bonds (distance) P-C4' energy: -118.493
flat angles C4'-P-C4' energy: -94.219
flat angles P-C4'-P energy: -34.562
tors. eta vs tors. theta energy: 12.644
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: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -2584.169406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.169406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.169406 (E_RNA)
where:
Base-Base interactions energy: -1771.344
where: short stacking energy: -741.445
Base-Backbone interact. energy: -0.678
local terms energy: -812.147465
where:
bonds (distance) C4'-P energy: -146.107
bonds (distance) P-C4' energy: -154.453
flat angles C4'-P-C4' energy: -169.430
flat angles P-C4'-P energy: -120.209
tors. eta vs tors. theta energy: -221.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -2399.841062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.841062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.841062 (E_RNA)
where:
Base-Base interactions energy: -1620.577
where: short stacking energy: -708.334
Base-Backbone interact. energy: -1.914
local terms energy: -777.349570
where:
bonds (distance) C4'-P energy: -152.495
bonds (distance) P-C4' energy: -144.035
flat angles C4'-P-C4' energy: -161.220
flat angles P-C4'-P energy: -105.316
tors. eta vs tors. theta energy: -214.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -2188.875053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.875053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.875053 (E_RNA)
where:
Base-Base interactions energy: -1484.504
where: short stacking energy: -600.300
Base-Backbone interact. energy: -2.849
local terms energy: -701.521323
where:
bonds (distance) C4'-P energy: -138.569
bonds (distance) P-C4' energy: -138.868
flat angles C4'-P-C4' energy: -150.455
flat angles P-C4'-P energy: -105.897
tors. eta vs tors. theta energy: -167.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -2136.007423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.007423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.007423 (E_RNA)
where:
Base-Base interactions energy: -1417.459
where: short stacking energy: -617.549
Base-Backbone interact. energy: -1.848
local terms energy: -716.700620
where:
bonds (distance) C4'-P energy: -131.111
bonds (distance) P-C4' energy: -140.651
flat angles C4'-P-C4' energy: -165.296
flat angles P-C4'-P energy: -106.176
tors. eta vs tors. theta energy: -173.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1898.919224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.919224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.919224 (E_RNA)
where:
Base-Base interactions energy: -1300.972
where: short stacking energy: -516.403
Base-Backbone interact. energy: -2.268
local terms energy: -595.679653
where:
bonds (distance) C4'-P energy: -134.436
bonds (distance) P-C4' energy: -138.684
flat angles C4'-P-C4' energy: -118.858
flat angles P-C4'-P energy: -84.240
tors. eta vs tors. theta energy: -119.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1646.133849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.133849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.133849 (E_RNA)
where:
Base-Base interactions energy: -1044.964
where: short stacking energy: -474.792
Base-Backbone interact. energy: -3.689
local terms energy: -597.480160
where:
bonds (distance) C4'-P energy: -130.615
bonds (distance) P-C4' energy: -132.909
flat angles C4'-P-C4' energy: -143.069
flat angles P-C4'-P energy: -81.468
tors. eta vs tors. theta energy: -109.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1364.924977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.924977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.924977 (E_RNA)
where:
Base-Base interactions energy: -814.526
where: short stacking energy: -367.323
Base-Backbone interact. energy: 1.045
local terms energy: -551.443845
where:
bonds (distance) C4'-P energy: -116.595
bonds (distance) P-C4' energy: -136.591
flat angles C4'-P-C4' energy: -129.893
flat angles P-C4'-P energy: -90.012
tors. eta vs tors. theta energy: -78.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1195.451084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.451084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.451084 (E_RNA)
where:
Base-Base interactions energy: -722.523
where: short stacking energy: -351.803
Base-Backbone interact. energy: 2.105
local terms energy: -475.032753
where:
bonds (distance) C4'-P energy: -107.084
bonds (distance) P-C4' energy: -133.017
flat angles C4'-P-C4' energy: -111.396
flat angles P-C4'-P energy: -76.369
tors. eta vs tors. theta energy: -47.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -704.824799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.824799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.824799 (E_RNA)
where:
Base-Base interactions energy: -329.068
where: short stacking energy: -211.550
Base-Backbone interact. energy: -3.112
local terms energy: -372.645315
where:
bonds (distance) C4'-P energy: -125.449
bonds (distance) P-C4' energy: -113.459
flat angles C4'-P-C4' energy: -96.432
flat angles P-C4'-P energy: -60.664
tors. eta vs tors. theta energy: 23.358
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: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -696.488913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.488913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.488913 (E_RNA)
where:
Base-Base interactions energy: -291.475
where: short stacking energy: -191.445
Base-Backbone interact. energy: 4.577
local terms energy: -409.590859
where:
bonds (distance) C4'-P energy: -106.017
bonds (distance) P-C4' energy: -129.437
flat angles C4'-P-C4' energy: -122.679
flat angles P-C4'-P energy: -64.150
tors. eta vs tors. theta energy: 12.693
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: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -2625.191048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.191048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.191048 (E_RNA)
where:
Base-Base interactions energy: -1796.732
where: short stacking energy: -744.445
Base-Backbone interact. energy: -5.325
local terms energy: -823.133917
where:
bonds (distance) C4'-P energy: -155.330
bonds (distance) P-C4' energy: -139.858
flat angles C4'-P-C4' energy: -185.439
flat angles P-C4'-P energy: -116.481
tors. eta vs tors. theta energy: -226.026
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: 4
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -2407.095019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.095019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.095019 (E_RNA)
where:
Base-Base interactions energy: -1621.019
where: short stacking energy: -676.684
Base-Backbone interact. energy: -4.549
local terms energy: -781.527328
where:
bonds (distance) C4'-P energy: -148.020
bonds (distance) P-C4' energy: -151.873
flat angles C4'-P-C4' energy: -172.253
flat angles P-C4'-P energy: -108.834
tors. eta vs tors. theta energy: -200.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -2218.539003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.539003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.539003 (E_RNA)
where:
Base-Base interactions energy: -1471.378
where: short stacking energy: -649.731
Base-Backbone interact. energy: -3.870
local terms energy: -743.290558
where:
bonds (distance) C4'-P energy: -129.246
bonds (distance) P-C4' energy: -146.572
flat angles C4'-P-C4' energy: -165.867
flat angles P-C4'-P energy: -108.255
tors. eta vs tors. theta energy: -193.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -2177.608983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2177.608983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2177.608983 (E_RNA)
where:
Base-Base interactions energy: -1496.424
where: short stacking energy: -630.090
Base-Backbone interact. energy: -3.732
local terms energy: -677.452732
where:
bonds (distance) C4'-P energy: -128.460
bonds (distance) P-C4' energy: -135.247
flat angles C4'-P-C4' energy: -140.321
flat angles P-C4'-P energy: -93.856
tors. eta vs tors. theta energy: -179.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1925.942752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.942752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.942752 (E_RNA)
where:
Base-Base interactions energy: -1288.544
where: short stacking energy: -507.916
Base-Backbone interact. energy: -3.219
local terms energy: -634.180427
where:
bonds (distance) C4'-P energy: -154.173
bonds (distance) P-C4' energy: -133.813
flat angles C4'-P-C4' energy: -140.791
flat angles P-C4'-P energy: -86.481
tors. eta vs tors. theta energy: -118.922
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: 8
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1700.314946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.314946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.314946 (E_RNA)
where:
Base-Base interactions energy: -1104.838
where: short stacking energy: -469.780
Base-Backbone interact. energy: -4.472
local terms energy: -591.005404
where:
bonds (distance) C4'-P energy: -111.156
bonds (distance) P-C4' energy: -131.572
flat angles C4'-P-C4' energy: -136.008
flat angles P-C4'-P energy: -92.357
tors. eta vs tors. theta energy: -119.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1398.486089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.486089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.486089 (E_RNA)
where:
Base-Base interactions energy: -857.895
where: short stacking energy: -395.514
Base-Backbone interact. energy: -2.126
local terms energy: -538.464612
where:
bonds (distance) C4'-P energy: -123.856
bonds (distance) P-C4' energy: -126.706
flat angles C4'-P-C4' energy: -124.139
flat angles P-C4'-P energy: -77.734
tors. eta vs tors. theta energy: -86.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1194.367483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.367483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.367483 (E_RNA)
where:
Base-Base interactions energy: -671.264
where: short stacking energy: -315.036
Base-Backbone interact. energy: -6.061
local terms energy: -517.042106
where:
bonds (distance) C4'-P energy: -114.155
bonds (distance) P-C4' energy: -138.562
flat angles C4'-P-C4' energy: -121.679
flat angles P-C4'-P energy: -75.219
tors. eta vs tors. theta energy: -67.426
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: 9, replica: 6
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -746.814814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.814814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.814814 (E_RNA)
where:
Base-Base interactions energy: -303.449
where: short stacking energy: -170.442
Base-Backbone interact. energy: -1.109
local terms energy: -442.256436
where:
bonds (distance) C4'-P energy: -135.351
bonds (distance) P-C4' energy: -138.898
flat angles C4'-P-C4' energy: -88.992
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: 1.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -659.433829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.433829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.433829 (E_RNA)
where:
Base-Base interactions energy: -287.069
where: short stacking energy: -168.679
Base-Backbone interact. energy: 0.226
local terms energy: -372.590660
where:
bonds (distance) C4'-P energy: -122.251
bonds (distance) P-C4' energy: -117.277
flat angles C4'-P-C4' energy: -104.698
flat angles P-C4'-P energy: -61.105
tors. eta vs tors. theta energy: 32.740
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: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2599.188688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.188688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.188688 (E_RNA)
where:
Base-Base interactions energy: -1818.921
where: short stacking energy: -762.610
Base-Backbone interact. energy: -4.638
local terms energy: -775.629826
where:
bonds (distance) C4'-P energy: -139.369
bonds (distance) P-C4' energy: -138.050
flat angles C4'-P-C4' energy: -170.359
flat angles P-C4'-P energy: -99.877
tors. eta vs tors. theta energy: -227.975
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: 4
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -2414.194828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.194828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.194828 (E_RNA)
where:
Base-Base interactions energy: -1659.691
where: short stacking energy: -703.123
Base-Backbone interact. energy: -5.238
local terms energy: -749.266284
where:
bonds (distance) C4'-P energy: -134.929
bonds (distance) P-C4' energy: -156.709
flat angles C4'-P-C4' energy: -142.986
flat angles P-C4'-P energy: -117.734
tors. eta vs tors. theta energy: -196.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -2162.348749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.348749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.348749 (E_RNA)
where:
Base-Base interactions energy: -1433.603
where: short stacking energy: -625.566
Base-Backbone interact. energy: -1.207
local terms energy: -727.539075
where:
bonds (distance) C4'-P energy: -143.472
bonds (distance) P-C4' energy: -141.939
flat angles C4'-P-C4' energy: -168.276
flat angles P-C4'-P energy: -94.240
tors. eta vs tors. theta energy: -179.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -2173.072511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.072511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.072511 (E_RNA)
where:
Base-Base interactions energy: -1472.761
where: short stacking energy: -595.522
Base-Backbone interact. energy: 1.594
local terms energy: -701.905081
where:
bonds (distance) C4'-P energy: -124.834
bonds (distance) P-C4' energy: -146.364
flat angles C4'-P-C4' energy: -150.539
flat angles P-C4'-P energy: -105.021
tors. eta vs tors. theta energy: -175.147
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: 5, replica: 5
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1909.585680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.585680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.585680 (E_RNA)
where:
Base-Base interactions energy: -1287.123
where: short stacking energy: -517.438
Base-Backbone interact. energy: 1.510
local terms energy: -623.972484
where:
bonds (distance) C4'-P energy: -107.076
bonds (distance) P-C4' energy: -132.362
flat angles C4'-P-C4' energy: -148.150
flat angles P-C4'-P energy: -92.195
tors. eta vs tors. theta energy: -144.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1670.077895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.077895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.077895 (E_RNA)
where:
Base-Base interactions energy: -1044.605
where: short stacking energy: -444.232
Base-Backbone interact. energy: -5.118
local terms energy: -620.354756
where:
bonds (distance) C4'-P energy: -130.247
bonds (distance) P-C4' energy: -157.473
flat angles C4'-P-C4' energy: -135.492
flat angles P-C4'-P energy: -72.466
tors. eta vs tors. theta energy: -124.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1313.274557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.274557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.274557 (E_RNA)
where:
Base-Base interactions energy: -810.564
where: short stacking energy: -357.131
Base-Backbone interact. energy: -1.758
local terms energy: -500.952318
where:
bonds (distance) C4'-P energy: -119.865
bonds (distance) P-C4' energy: -126.117
flat angles C4'-P-C4' energy: -117.284
flat angles P-C4'-P energy: -75.022
tors. eta vs tors. theta energy: -62.663
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: 7
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1248.789474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.789474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.789474 (E_RNA)
where:
Base-Base interactions energy: -764.962
where: short stacking energy: -364.228
Base-Backbone interact. energy: -4.040
local terms energy: -479.786709
where:
bonds (distance) C4'-P energy: -110.242
bonds (distance) P-C4' energy: -117.898
flat angles C4'-P-C4' energy: -99.721
flat angles P-C4'-P energy: -89.980
tors. eta vs tors. theta energy: -61.946
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: 6
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -728.284743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.284743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.284743 (E_RNA)
where:
Base-Base interactions energy: -318.713
where: short stacking energy: -172.213
Base-Backbone interact. energy: -0.882
local terms energy: -408.690357
where:
bonds (distance) C4'-P energy: -115.684
bonds (distance) P-C4' energy: -133.890
flat angles C4'-P-C4' energy: -127.168
flat angles P-C4'-P energy: -47.363
tors. eta vs tors. theta energy: 15.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -632.837157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.837157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.837157 (E_RNA)
where:
Base-Base interactions energy: -250.339
where: short stacking energy: -135.861
Base-Backbone interact. energy: 1.040
local terms energy: -383.538078
where:
bonds (distance) C4'-P energy: -105.830
bonds (distance) P-C4' energy: -128.493
flat angles C4'-P-C4' energy: -116.414
flat angles P-C4'-P energy: -58.468
tors. eta vs tors. theta energy: 25.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2633.163869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.163869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.163869 (E_RNA)
where:
Base-Base interactions energy: -1813.873
where: short stacking energy: -752.324
Base-Backbone interact. energy: -2.292
local terms energy: -816.999214
where:
bonds (distance) C4'-P energy: -147.291
bonds (distance) P-C4' energy: -157.693
flat angles C4'-P-C4' energy: -169.675
flat angles P-C4'-P energy: -111.138
tors. eta vs tors. theta energy: -231.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -2400.033229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.033229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.033229 (E_RNA)
where:
Base-Base interactions energy: -1612.070
where: short stacking energy: -695.491
Base-Backbone interact. energy: -0.453
local terms energy: -787.511216
where:
bonds (distance) C4'-P energy: -148.439
bonds (distance) P-C4' energy: -151.221
flat angles C4'-P-C4' energy: -170.094
flat angles P-C4'-P energy: -106.566
tors. eta vs tors. theta energy: -211.192
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: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -2275.116661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.116661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.116661 (E_RNA)
where:
Base-Base interactions energy: -1547.388
where: short stacking energy: -659.673
Base-Backbone interact. energy: -1.800
local terms energy: -725.928600
where:
bonds (distance) C4'-P energy: -147.492
bonds (distance) P-C4' energy: -123.314
flat angles C4'-P-C4' energy: -150.224
flat angles P-C4'-P energy: -110.658
tors. eta vs tors. theta energy: -194.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -2128.072322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.072322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.072322 (E_RNA)
where:
Base-Base interactions energy: -1395.488
where: short stacking energy: -610.718
Base-Backbone interact. energy: 1.128
local terms energy: -733.712318
where:
bonds (distance) C4'-P energy: -144.297
bonds (distance) P-C4' energy: -151.141
flat angles C4'-P-C4' energy: -167.902
flat angles P-C4'-P energy: -75.296
tors. eta vs tors. theta energy: -195.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1939.693513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.693513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.693513 (E_RNA)
where:
Base-Base interactions energy: -1306.581
where: short stacking energy: -536.073
Base-Backbone interact. energy: 1.062
local terms energy: -634.174994
where:
bonds (distance) C4'-P energy: -147.571
bonds (distance) P-C4' energy: -116.478
flat angles C4'-P-C4' energy: -147.959
flat angles P-C4'-P energy: -87.993
tors. eta vs tors. theta energy: -134.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1655.226471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.226471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.226471 (E_RNA)
where:
Base-Base interactions energy: -1039.127
where: short stacking energy: -459.013
Base-Backbone interact. energy: -2.326
local terms energy: -613.773424
where:
bonds (distance) C4'-P energy: -125.685
bonds (distance) P-C4' energy: -124.590
flat angles C4'-P-C4' energy: -159.726
flat angles P-C4'-P energy: -86.088
tors. eta vs tors. theta energy: -117.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1334.102551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.102551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.102551 (E_RNA)
where:
Base-Base interactions energy: -789.624
where: short stacking energy: -374.867
Base-Backbone interact. energy: -1.953
local terms energy: -542.525564
where:
bonds (distance) C4'-P energy: -134.423
bonds (distance) P-C4' energy: -129.891
flat angles C4'-P-C4' energy: -135.565
flat angles P-C4'-P energy: -85.703
tors. eta vs tors. theta energy: -56.944
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: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1294.921082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.921082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.921082 (E_RNA)
where:
Base-Base interactions energy: -765.445
where: short stacking energy: -364.124
Base-Backbone interact. energy: 4.562
local terms energy: -534.037965
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -132.575
flat angles C4'-P-C4' energy: -128.633
flat angles P-C4'-P energy: -83.640
tors. eta vs tors. theta energy: -70.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -768.828330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.828330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.828330 (E_RNA)
where:
Base-Base interactions energy: -357.489
where: short stacking energy: -212.926
Base-Backbone interact. energy: 2.289
local terms energy: -413.628240
where:
bonds (distance) C4'-P energy: -139.381
bonds (distance) P-C4' energy: -132.589
flat angles C4'-P-C4' energy: -89.696
flat angles P-C4'-P energy: -60.490
tors. eta vs tors. theta energy: 8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -631.678309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.678309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.678309 (E_RNA)
where:
Base-Base interactions energy: -251.708
where: short stacking energy: -160.632
Base-Backbone interact. energy: -1.608
local terms energy: -378.362372
where:
bonds (distance) C4'-P energy: -117.016
bonds (distance) P-C4' energy: -116.564
flat angles C4'-P-C4' energy: -103.602
flat angles P-C4'-P energy: -80.723
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: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2626.446079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.446079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.446079 (E_RNA)
where:
Base-Base interactions energy: -1809.697
where: short stacking energy: -770.798
Base-Backbone interact. energy: -3.517
local terms energy: -813.232625
where:
bonds (distance) C4'-P energy: -149.164
bonds (distance) P-C4' energy: -157.780
flat angles C4'-P-C4' energy: -161.639
flat angles P-C4'-P energy: -111.699
tors. eta vs tors. theta energy: -232.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -2347.949600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.949600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.949600 (E_RNA)
where:
Base-Base interactions energy: -1575.076
where: short stacking energy: -660.590
Base-Backbone interact. energy: 2.596
local terms energy: -775.469515
where:
bonds (distance) C4'-P energy: -143.450
bonds (distance) P-C4' energy: -152.379
flat angles C4'-P-C4' energy: -159.359
flat angles P-C4'-P energy: -121.227
tors. eta vs tors. theta energy: -199.053
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: 3
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -2239.200818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.200818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.200818 (E_RNA)
where:
Base-Base interactions energy: -1520.682
where: short stacking energy: -624.327
Base-Backbone interact. energy: -4.144
local terms energy: -714.374277
where:
bonds (distance) C4'-P energy: -139.146
bonds (distance) P-C4' energy: -126.330
flat angles C4'-P-C4' energy: -171.829
flat angles P-C4'-P energy: -100.994
tors. eta vs tors. theta energy: -176.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -2082.119612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.119612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.119612 (E_RNA)
where:
Base-Base interactions energy: -1383.879
where: short stacking energy: -604.515
Base-Backbone interact. energy: 0.572
local terms energy: -698.812748
where:
bonds (distance) C4'-P energy: -143.015
bonds (distance) P-C4' energy: -137.753
flat angles C4'-P-C4' energy: -153.597
flat angles P-C4'-P energy: -93.148
tors. eta vs tors. theta energy: -171.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1906.025343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.025343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.025343 (E_RNA)
where:
Base-Base interactions energy: -1282.284
where: short stacking energy: -502.850
Base-Backbone interact. energy: 4.071
local terms energy: -627.812953
where:
bonds (distance) C4'-P energy: -139.816
bonds (distance) P-C4' energy: -131.691
flat angles C4'-P-C4' energy: -144.330
flat angles P-C4'-P energy: -79.271
tors. eta vs tors. theta energy: -132.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1689.657744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.657744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.657744 (E_RNA)
where:
Base-Base interactions energy: -1077.932
where: short stacking energy: -498.192
Base-Backbone interact. energy: -0.293
local terms energy: -611.432461
where:
bonds (distance) C4'-P energy: -120.071
bonds (distance) P-C4' energy: -132.413
flat angles C4'-P-C4' energy: -151.274
flat angles P-C4'-P energy: -78.441
tors. eta vs tors. theta energy: -129.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1356.772018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.772018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.772018 (E_RNA)
where:
Base-Base interactions energy: -853.925
where: short stacking energy: -377.757
Base-Backbone interact. energy: -0.276
local terms energy: -502.570869
where:
bonds (distance) C4'-P energy: -126.546
bonds (distance) P-C4' energy: -115.982
flat angles C4'-P-C4' energy: -113.947
flat angles P-C4'-P energy: -79.778
tors. eta vs tors. theta energy: -66.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1272.368308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.368308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.368308 (E_RNA)
where:
Base-Base interactions energy: -751.495
where: short stacking energy: -345.357
Base-Backbone interact. energy: 1.321
local terms energy: -522.194707
where:
bonds (distance) C4'-P energy: -126.423
bonds (distance) P-C4' energy: -139.109
flat angles C4'-P-C4' energy: -114.764
flat angles P-C4'-P energy: -77.164
tors. eta vs tors. theta energy: -64.734
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: 115
Temperature: 1.300000
Total energy: -786.156132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.156132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.156132 (E_RNA)
where:
Base-Base interactions energy: -372.676
where: short stacking energy: -231.351
Base-Backbone interact. energy: -2.754
local terms energy: -410.726498
where:
bonds (distance) C4'-P energy: -88.833
bonds (distance) P-C4' energy: -138.699
flat angles C4'-P-C4' energy: -103.746
flat angles P-C4'-P energy: -64.698
tors. eta vs tors. theta energy: -14.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -628.168210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.168210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.168210 (E_RNA)
where:
Base-Base interactions energy: -243.508
where: short stacking energy: -185.645
Base-Backbone interact. energy: 11.081
local terms energy: -395.740835
where:
bonds (distance) C4'-P energy: -125.021
bonds (distance) P-C4' energy: -126.580
flat angles C4'-P-C4' energy: -97.646
flat angles P-C4'-P energy: -68.573
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: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2623.090439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.090439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.090439 (E_RNA)
where:
Base-Base interactions energy: -1787.379
where: short stacking energy: -753.345
Base-Backbone interact. energy: -2.607
local terms energy: -833.103944
where:
bonds (distance) C4'-P energy: -152.519
bonds (distance) P-C4' energy: -147.634
flat angles C4'-P-C4' energy: -181.321
flat angles P-C4'-P energy: -115.310
tors. eta vs tors. theta energy: -236.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -2390.979319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2390.979319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2390.979319 (E_RNA)
where:
Base-Base interactions energy: -1623.995
where: short stacking energy: -685.535
Base-Backbone interact. energy: -0.232
local terms energy: -766.752144
where:
bonds (distance) C4'-P energy: -146.585
bonds (distance) P-C4' energy: -151.337
flat angles C4'-P-C4' energy: -157.536
flat angles P-C4'-P energy: -104.107
tors. eta vs tors. theta energy: -207.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -2277.963976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.963976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.963976 (E_RNA)
where:
Base-Base interactions energy: -1522.227
where: short stacking energy: -642.348
Base-Backbone interact. energy: -5.049
local terms energy: -750.688221
where:
bonds (distance) C4'-P energy: -137.368
bonds (distance) P-C4' energy: -140.409
flat angles C4'-P-C4' energy: -168.140
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -199.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -2104.211376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.211376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.211376 (E_RNA)
where:
Base-Base interactions energy: -1402.307
where: short stacking energy: -594.253
Base-Backbone interact. energy: -2.592
local terms energy: -699.312135
where:
bonds (distance) C4'-P energy: -148.800
bonds (distance) P-C4' energy: -131.070
flat angles C4'-P-C4' energy: -159.922
flat angles P-C4'-P energy: -95.156
tors. eta vs tors. theta energy: -164.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1878.602384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.602384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.602384 (E_RNA)
where:
Base-Base interactions energy: -1293.804
where: short stacking energy: -495.504
Base-Backbone interact. energy: 0.118
local terms energy: -584.916398
where:
bonds (distance) C4'-P energy: -113.217
bonds (distance) P-C4' energy: -111.810
flat angles C4'-P-C4' energy: -153.122
flat angles P-C4'-P energy: -91.637
tors. eta vs tors. theta energy: -115.131
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1680.179000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.179000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.179000 (E_RNA)
where:
Base-Base interactions energy: -1082.758
where: short stacking energy: -489.234
Base-Backbone interact. energy: -2.608
local terms energy: -594.812968
where:
bonds (distance) C4'-P energy: -135.263
bonds (distance) P-C4' energy: -129.178
flat angles C4'-P-C4' energy: -133.944
flat angles P-C4'-P energy: -75.683
tors. eta vs tors. theta energy: -120.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1388.116595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.116595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.116595 (E_RNA)
where:
Base-Base interactions energy: -872.679
where: short stacking energy: -383.492
Base-Backbone interact. energy: 10.543
local terms energy: -525.980548
where:
bonds (distance) C4'-P energy: -117.725
bonds (distance) P-C4' energy: -143.399
flat angles C4'-P-C4' energy: -109.681
flat angles P-C4'-P energy: -75.401
tors. eta vs tors. theta energy: -79.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1309.672555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.672555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.672555 (E_RNA)
where:
Base-Base interactions energy: -781.003
where: short stacking energy: -356.950
Base-Backbone interact. energy: 1.500
local terms energy: -530.169406
where:
bonds (distance) C4'-P energy: -120.402
bonds (distance) P-C4' energy: -109.679
flat angles C4'-P-C4' energy: -127.875
flat angles P-C4'-P energy: -97.309
tors. eta vs tors. theta energy: -74.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -783.685658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.685658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.685658 (E_RNA)
where:
Base-Base interactions energy: -359.407
where: short stacking energy: -217.934
Base-Backbone interact. energy: -2.629
local terms energy: -421.649752
where:
bonds (distance) C4'-P energy: -113.476
bonds (distance) P-C4' energy: -123.870
flat angles C4'-P-C4' energy: -117.165
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -631.762512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.762512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.762512 (E_RNA)
where:
Base-Base interactions energy: -263.448
where: short stacking energy: -172.996
Base-Backbone interact. energy: 3.778
local terms energy: -372.092744
where:
bonds (distance) C4'-P energy: -99.144
bonds (distance) P-C4' energy: -140.421
flat angles C4'-P-C4' energy: -112.321
flat angles P-C4'-P energy: -44.846
tors. eta vs tors. theta energy: 24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2637.245642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.245642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.245642 (E_RNA)
where:
Base-Base interactions energy: -1806.242
where: short stacking energy: -733.473
Base-Backbone interact. energy: -2.407
local terms energy: -828.596045
where:
bonds (distance) C4'-P energy: -150.966
bonds (distance) P-C4' energy: -155.412
flat angles C4'-P-C4' energy: -162.945
flat angles P-C4'-P energy: -123.116
tors. eta vs tors. theta energy: -236.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -2379.716652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.716652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.716652 (E_RNA)
where:
Base-Base interactions energy: -1608.109
where: short stacking energy: -640.702
Base-Backbone interact. energy: -3.188
local terms energy: -768.419496
where:
bonds (distance) C4'-P energy: -148.278
bonds (distance) P-C4' energy: -143.244
flat angles C4'-P-C4' energy: -161.701
flat angles P-C4'-P energy: -117.789
tors. eta vs tors. theta energy: -197.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -2263.435173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.435173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.435173 (E_RNA)
where:
Base-Base interactions energy: -1507.754
where: short stacking energy: -637.625
Base-Backbone interact. energy: -3.478
local terms energy: -752.202409
where:
bonds (distance) C4'-P energy: -148.100
bonds (distance) P-C4' energy: -140.867
flat angles C4'-P-C4' energy: -165.275
flat angles P-C4'-P energy: -110.745
tors. eta vs tors. theta energy: -187.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -2125.425943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.425943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.425943 (E_RNA)
where:
Base-Base interactions energy: -1388.648
where: short stacking energy: -620.922
Base-Backbone interact. energy: -1.119
local terms energy: -735.658308
where:
bonds (distance) C4'-P energy: -146.103
bonds (distance) P-C4' energy: -148.931
flat angles C4'-P-C4' energy: -143.989
flat angles P-C4'-P energy: -115.080
tors. eta vs tors. theta energy: -181.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1945.369845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.369845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.369845 (E_RNA)
where:
Base-Base interactions energy: -1335.941
where: short stacking energy: -538.301
Base-Backbone interact. energy: 6.419
local terms energy: -615.848412
where:
bonds (distance) C4'-P energy: -124.346
bonds (distance) P-C4' energy: -135.834
flat angles C4'-P-C4' energy: -142.491
flat angles P-C4'-P energy: -79.156
tors. eta vs tors. theta energy: -134.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1818.923402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.923402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.923402 (E_RNA)
where:
Base-Base interactions energy: -1180.219
where: short stacking energy: -500.529
Base-Backbone interact. energy: -3.128
local terms energy: -635.575895
where:
bonds (distance) C4'-P energy: -131.232
bonds (distance) P-C4' energy: -130.153
flat angles C4'-P-C4' energy: -157.688
flat angles P-C4'-P energy: -77.321
tors. eta vs tors. theta energy: -139.182
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: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1443.336275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.336275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.336275 (E_RNA)
where:
Base-Base interactions energy: -882.625
where: short stacking energy: -406.221
Base-Backbone interact. energy: 2.190
local terms energy: -562.900326
where:
bonds (distance) C4'-P energy: -137.542
bonds (distance) P-C4' energy: -152.095
flat angles C4'-P-C4' energy: -117.946
flat angles P-C4'-P energy: -77.944
tors. eta vs tors. theta energy: -77.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1324.878452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.878452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.878452 (E_RNA)
where:
Base-Base interactions energy: -788.873
where: short stacking energy: -381.206
Base-Backbone interact. energy: 3.913
local terms energy: -539.918414
where:
bonds (distance) C4'-P energy: -127.971
bonds (distance) P-C4' energy: -126.220
flat angles C4'-P-C4' energy: -127.222
flat angles P-C4'-P energy: -82.671
tors. eta vs tors. theta energy: -75.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -783.738081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.738081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.738081 (E_RNA)
where:
Base-Base interactions energy: -386.949
where: short stacking energy: -219.003
Base-Backbone interact. energy: -0.384
local terms energy: -396.405925
where:
bonds (distance) C4'-P energy: -127.785
bonds (distance) P-C4' energy: -130.569
flat angles C4'-P-C4' energy: -85.269
flat angles P-C4'-P energy: -54.589
tors. eta vs tors. theta energy: 1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -634.652687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.652687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.652687 (E_RNA)
where:
Base-Base interactions energy: -264.577
where: short stacking energy: -188.519
Base-Backbone interact. energy: -2.606
local terms energy: -367.470006
where:
bonds (distance) C4'-P energy: -122.234
bonds (distance) P-C4' energy: -115.611
flat angles C4'-P-C4' energy: -100.132
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: 21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2627.557212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.557212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.557212 (E_RNA)
where:
Base-Base interactions energy: -1816.661
where: short stacking energy: -756.532
Base-Backbone interact. energy: -1.928
local terms energy: -808.968032
where:
bonds (distance) C4'-P energy: -135.634
bonds (distance) P-C4' energy: -153.586
flat angles C4'-P-C4' energy: -177.898
flat angles P-C4'-P energy: -118.111
tors. eta vs tors. theta energy: -223.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -2397.712035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.712035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.712035 (E_RNA)
where:
Base-Base interactions energy: -1596.672
where: short stacking energy: -703.345
Base-Backbone interact. energy: 3.737
local terms energy: -804.777963
where:
bonds (distance) C4'-P energy: -156.559
bonds (distance) P-C4' energy: -155.006
flat angles C4'-P-C4' energy: -171.676
flat angles P-C4'-P energy: -110.493
tors. eta vs tors. theta energy: -211.044
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: 118
Temperature: 1.000000
Total energy: -2213.188485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.188485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.188485 (E_RNA)
where:
Base-Base interactions energy: -1464.816
where: short stacking energy: -652.227
Base-Backbone interact. energy: -1.866
local terms energy: -746.507076
where:
bonds (distance) C4'-P energy: -147.733
bonds (distance) P-C4' energy: -135.183
flat angles C4'-P-C4' energy: -175.010
flat angles P-C4'-P energy: -100.775
tors. eta vs tors. theta energy: -187.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -2172.383464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.383464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.383464 (E_RNA)
where:
Base-Base interactions energy: -1465.568
where: short stacking energy: -607.260
Base-Backbone interact. energy: -1.884
local terms energy: -704.931339
where:
bonds (distance) C4'-P energy: -139.398
bonds (distance) P-C4' energy: -141.062
flat angles C4'-P-C4' energy: -150.554
flat angles P-C4'-P energy: -91.592
tors. eta vs tors. theta energy: -182.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1980.736272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.736272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.736272 (E_RNA)
where:
Base-Base interactions energy: -1344.599
where: short stacking energy: -539.961
Base-Backbone interact. energy: -3.523
local terms energy: -632.613797
where:
bonds (distance) C4'-P energy: -126.552
bonds (distance) P-C4' energy: -132.406
flat angles C4'-P-C4' energy: -142.151
flat angles P-C4'-P energy: -75.331
tors. eta vs tors. theta energy: -156.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1796.729967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.729967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.729967 (E_RNA)
where:
Base-Base interactions energy: -1168.562
where: short stacking energy: -497.734
Base-Backbone interact. energy: -2.573
local terms energy: -625.595301
where:
bonds (distance) C4'-P energy: -119.041
bonds (distance) P-C4' energy: -155.441
flat angles C4'-P-C4' energy: -133.852
flat angles P-C4'-P energy: -85.634
tors. eta vs tors. theta energy: -131.627
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: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1373.975450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.975450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.975450 (E_RNA)
where:
Base-Base interactions energy: -830.177
where: short stacking energy: -386.086
Base-Backbone interact. energy: -2.413
local terms energy: -541.385678
where:
bonds (distance) C4'-P energy: -124.200
bonds (distance) P-C4' energy: -141.785
flat angles C4'-P-C4' energy: -124.603
flat angles P-C4'-P energy: -83.810
tors. eta vs tors. theta energy: -66.988
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: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1296.270464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.270464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.270464 (E_RNA)
where:
Base-Base interactions energy: -781.283
where: short stacking energy: -367.498
Base-Backbone interact. energy: -3.537
local terms energy: -511.450106
where:
bonds (distance) C4'-P energy: -125.225
bonds (distance) P-C4' energy: -135.360
flat angles C4'-P-C4' energy: -123.860
flat angles P-C4'-P energy: -72.226
tors. eta vs tors. theta energy: -54.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -858.236440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.236440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.236440 (E_RNA)
where:
Base-Base interactions energy: -434.273
where: short stacking energy: -238.527
Base-Backbone interact. energy: -0.640
local terms energy: -423.323878
where:
bonds (distance) C4'-P energy: -131.492
bonds (distance) P-C4' energy: -118.343
flat angles C4'-P-C4' energy: -120.083
flat angles P-C4'-P energy: -58.245
tors. eta vs tors. theta energy: 4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -641.043626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.043626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.043626 (E_RNA)
where:
Base-Base interactions energy: -260.219
where: short stacking energy: -165.126
Base-Backbone interact. energy: -1.326
local terms energy: -379.498116
where:
bonds (distance) C4'-P energy: -104.134
bonds (distance) P-C4' energy: -119.485
flat angles C4'-P-C4' energy: -115.548
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: 24.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2616.575118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.575118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.575118 (E_RNA)
where:
Base-Base interactions energy: -1778.505
where: short stacking energy: -741.022
Base-Backbone interact. energy: 2.262
local terms energy: -840.331588
where:
bonds (distance) C4'-P energy: -156.394
bonds (distance) P-C4' energy: -162.355
flat angles C4'-P-C4' energy: -174.940
flat angles P-C4'-P energy: -117.572
tors. eta vs tors. theta energy: -229.070
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: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -2356.017547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.017547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.017547 (E_RNA)
where:
Base-Base interactions energy: -1572.774
where: short stacking energy: -668.786
Base-Backbone interact. energy: -2.318
local terms energy: -780.925476
where:
bonds (distance) C4'-P energy: -141.636
bonds (distance) P-C4' energy: -168.298
flat angles C4'-P-C4' energy: -166.078
flat angles P-C4'-P energy: -101.833
tors. eta vs tors. theta energy: -203.080
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: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -2192.314662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.314662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.314662 (E_RNA)
where:
Base-Base interactions energy: -1444.939
where: short stacking energy: -659.217
Base-Backbone interact. energy: -0.198
local terms energy: -747.177575
where:
bonds (distance) C4'-P energy: -138.979
bonds (distance) P-C4' energy: -154.145
flat angles C4'-P-C4' energy: -163.330
flat angles P-C4'-P energy: -109.659
tors. eta vs tors. theta energy: -181.064
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -2179.178489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.178489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.178489 (E_RNA)
where:
Base-Base interactions energy: -1468.940
where: short stacking energy: -594.335
Base-Backbone interact. energy: -7.473
local terms energy: -702.765424
where:
bonds (distance) C4'-P energy: -130.090
bonds (distance) P-C4' energy: -152.336
flat angles C4'-P-C4' energy: -158.076
flat angles P-C4'-P energy: -100.057
tors. eta vs tors. theta energy: -162.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1974.790939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.790939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.790939 (E_RNA)
where:
Base-Base interactions energy: -1352.849
where: short stacking energy: -546.022
Base-Backbone interact. energy: 4.387
local terms energy: -626.328523
where:
bonds (distance) C4'-P energy: -112.461
bonds (distance) P-C4' energy: -142.743
flat angles C4'-P-C4' energy: -144.018
flat angles P-C4'-P energy: -76.007
tors. eta vs tors. theta energy: -151.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1784.761727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.761727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.761727 (E_RNA)
where:
Base-Base interactions energy: -1194.997
where: short stacking energy: -532.822
Base-Backbone interact. energy: -1.371
local terms energy: -588.393389
where:
bonds (distance) C4'-P energy: -127.764
bonds (distance) P-C4' energy: -127.971
flat angles C4'-P-C4' energy: -121.929
flat angles P-C4'-P energy: -74.947
tors. eta vs tors. theta energy: -135.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1330.578181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.578181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.578181 (E_RNA)
where:
Base-Base interactions energy: -814.215
where: short stacking energy: -417.198
Base-Backbone interact. energy: -3.176
local terms energy: -513.186864
where:
bonds (distance) C4'-P energy: -113.164
bonds (distance) P-C4' energy: -132.739
flat angles C4'-P-C4' energy: -119.880
flat angles P-C4'-P energy: -77.127
tors. eta vs tors. theta energy: -70.278
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: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1216.219216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.219216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.219216 (E_RNA)
where:
Base-Base interactions energy: -683.145
where: short stacking energy: -370.621
Base-Backbone interact. energy: -0.674
local terms energy: -532.399987
where:
bonds (distance) C4'-P energy: -138.678
bonds (distance) P-C4' energy: -137.368
flat angles C4'-P-C4' energy: -121.499
flat angles P-C4'-P energy: -71.522
tors. eta vs tors. theta energy: -63.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -856.096748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.096748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.096748 (E_RNA)
where:
Base-Base interactions energy: -458.362
where: short stacking energy: -235.462
Base-Backbone interact. energy: -0.765
local terms energy: -396.970126
where:
bonds (distance) C4'-P energy: -108.456
bonds (distance) P-C4' energy: -107.454
flat angles C4'-P-C4' energy: -129.375
flat angles P-C4'-P energy: -48.045
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: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -665.063177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.063177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.063177 (E_RNA)
where:
Base-Base interactions energy: -287.345
where: short stacking energy: -175.416
Base-Backbone interact. energy: 1.867
local terms energy: -379.585089
where:
bonds (distance) C4'-P energy: -128.706
bonds (distance) P-C4' energy: -120.758
flat angles C4'-P-C4' energy: -100.204
flat angles P-C4'-P energy: -50.819
tors. eta vs tors. theta energy: 20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2618.396850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.396850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.396850 (E_RNA)
where:
Base-Base interactions energy: -1806.962
where: short stacking energy: -761.476
Base-Backbone interact. energy: -4.857
local terms energy: -806.578186
where:
bonds (distance) C4'-P energy: -139.537
bonds (distance) P-C4' energy: -152.136
flat angles C4'-P-C4' energy: -175.734
flat angles P-C4'-P energy: -114.558
tors. eta vs tors. theta energy: -224.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -2349.954100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.954100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.954100 (E_RNA)
where:
Base-Base interactions energy: -1560.965
where: short stacking energy: -678.232
Base-Backbone interact. energy: -1.025
local terms energy: -787.964313
where:
bonds (distance) C4'-P energy: -158.094
bonds (distance) P-C4' energy: -149.835
flat angles C4'-P-C4' energy: -169.376
flat angles P-C4'-P energy: -117.248
tors. eta vs tors. theta energy: -193.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -2252.430636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.430636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.430636 (E_RNA)
where:
Base-Base interactions energy: -1499.554
where: short stacking energy: -623.390
Base-Backbone interact. energy: -4.209
local terms energy: -748.667919
where:
bonds (distance) C4'-P energy: -147.545
bonds (distance) P-C4' energy: -143.283
flat angles C4'-P-C4' energy: -162.125
flat angles P-C4'-P energy: -111.451
tors. eta vs tors. theta energy: -184.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -2116.837474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.837474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.837474 (E_RNA)
where:
Base-Base interactions energy: -1423.501
where: short stacking energy: -629.699
Base-Backbone interact. energy: 0.882
local terms energy: -694.218596
where:
bonds (distance) C4'-P energy: -127.062
bonds (distance) P-C4' energy: -126.283
flat angles C4'-P-C4' energy: -168.598
flat angles P-C4'-P energy: -98.730
tors. eta vs tors. theta energy: -173.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1929.575381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.575381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.575381 (E_RNA)
where:
Base-Base interactions energy: -1291.508
where: short stacking energy: -505.218
Base-Backbone interact. energy: 1.401
local terms energy: -639.468092
where:
bonds (distance) C4'-P energy: -126.423
bonds (distance) P-C4' energy: -123.497
flat angles C4'-P-C4' energy: -155.081
flat angles P-C4'-P energy: -91.982
tors. eta vs tors. theta energy: -142.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1801.872248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.872248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.872248 (E_RNA)
where:
Base-Base interactions energy: -1171.577
where: short stacking energy: -481.225
Base-Backbone interact. energy: -1.848
local terms energy: -628.447976
where:
bonds (distance) C4'-P energy: -138.870
bonds (distance) P-C4' energy: -145.779
flat angles C4'-P-C4' energy: -141.749
flat angles P-C4'-P energy: -77.037
tors. eta vs tors. theta energy: -125.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1373.158071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.158071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.158071 (E_RNA)
where:
Base-Base interactions energy: -843.980
where: short stacking energy: -391.775
Base-Backbone interact. energy: 1.391
local terms energy: -530.569138
where:
bonds (distance) C4'-P energy: -110.873
bonds (distance) P-C4' energy: -117.198
flat angles C4'-P-C4' energy: -135.152
flat angles P-C4'-P energy: -82.023
tors. eta vs tors. theta energy: -85.323
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: 7
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1297.159597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.159597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.159597 (E_RNA)
where:
Base-Base interactions energy: -787.986
where: short stacking energy: -352.307
Base-Backbone interact. energy: 1.073
local terms energy: -510.246179
where:
bonds (distance) C4'-P energy: -135.725
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -125.033
flat angles P-C4'-P energy: -75.236
tors. eta vs tors. theta energy: -44.749
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: 120
Temperature: 1.300000
Total energy: -822.483369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.483369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.483369 (E_RNA)
where:
Base-Base interactions energy: -389.112
where: short stacking energy: -216.254
Base-Backbone interact. energy: 4.070
local terms energy: -437.441324
where:
bonds (distance) C4'-P energy: -103.034
bonds (distance) P-C4' energy: -127.081
flat angles C4'-P-C4' energy: -113.974
flat angles P-C4'-P energy: -87.478
tors. eta vs tors. theta energy: -5.875
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: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -676.253938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.253938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.253938 (E_RNA)
where:
Base-Base interactions energy: -285.436
where: short stacking energy: -199.025
Base-Backbone interact. energy: -0.061
local terms energy: -390.756738
where:
bonds (distance) C4'-P energy: -125.235
bonds (distance) P-C4' energy: -115.494
flat angles C4'-P-C4' energy: -103.839
flat angles P-C4'-P energy: -52.414
tors. eta vs tors. theta energy: 6.226
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: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2619.385645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.385645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.385645 (E_RNA)
where:
Base-Base interactions energy: -1802.592
where: short stacking energy: -746.837
Base-Backbone interact. energy: -0.430
local terms energy: -816.363972
where:
bonds (distance) C4'-P energy: -148.832
bonds (distance) P-C4' energy: -154.200
flat angles C4'-P-C4' energy: -164.385
flat angles P-C4'-P energy: -113.785
tors. eta vs tors. theta energy: -235.162
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: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -2362.239531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.239531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.239531 (E_RNA)
where:
Base-Base interactions energy: -1589.850
where: short stacking energy: -697.150
Base-Backbone interact. energy: -3.090
local terms energy: -769.299951
where:
bonds (distance) C4'-P energy: -139.953
bonds (distance) P-C4' energy: -135.368
flat angles C4'-P-C4' energy: -169.880
flat angles P-C4'-P energy: -112.236
tors. eta vs tors. theta energy: -211.863
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: 3
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -2258.891893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.891893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.891893 (E_RNA)
where:
Base-Base interactions energy: -1516.023
where: short stacking energy: -632.644
Base-Backbone interact. energy: -4.756
local terms energy: -738.112338
where:
bonds (distance) C4'-P energy: -145.127
bonds (distance) P-C4' energy: -151.733
flat angles C4'-P-C4' energy: -165.057
flat angles P-C4'-P energy: -86.775
tors. eta vs tors. theta energy: -189.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -2073.224285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.224285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.224285 (E_RNA)
where:
Base-Base interactions energy: -1359.783
where: short stacking energy: -595.723
Base-Backbone interact. energy: -3.162
local terms energy: -710.279774
where:
bonds (distance) C4'-P energy: -129.352
bonds (distance) P-C4' energy: -144.274
flat angles C4'-P-C4' energy: -160.388
flat angles P-C4'-P energy: -100.666
tors. eta vs tors. theta energy: -175.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1942.062624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.062624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.062624 (E_RNA)
where:
Base-Base interactions energy: -1302.304
where: short stacking energy: -525.783
Base-Backbone interact. energy: 1.072
local terms energy: -640.830677
where:
bonds (distance) C4'-P energy: -143.915
bonds (distance) P-C4' energy: -148.380
flat angles C4'-P-C4' energy: -137.041
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -142.765
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: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1866.773642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.773642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.773642 (E_RNA)
where:
Base-Base interactions energy: -1199.086
where: short stacking energy: -523.475
Base-Backbone interact. energy: 3.607
local terms energy: -671.294460
where:
bonds (distance) C4'-P energy: -144.250
bonds (distance) P-C4' energy: -128.973
flat angles C4'-P-C4' energy: -152.859
flat angles P-C4'-P energy: -90.719
tors. eta vs tors. theta energy: -154.492
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: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1310.469208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.469208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.469208 (E_RNA)
where:
Base-Base interactions energy: -777.846
where: short stacking energy: -358.642
Base-Backbone interact. energy: -0.757
local terms energy: -531.865640
where:
bonds (distance) C4'-P energy: -108.793
bonds (distance) P-C4' energy: -143.289
flat angles C4'-P-C4' energy: -128.034
flat angles P-C4'-P energy: -85.151
tors. eta vs tors. theta energy: -66.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1268.583352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.583352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.583352 (E_RNA)
where:
Base-Base interactions energy: -730.699
where: short stacking energy: -371.560
Base-Backbone interact. energy: 2.046
local terms energy: -539.930874
where:
bonds (distance) C4'-P energy: -118.451
bonds (distance) P-C4' energy: -139.105
flat angles C4'-P-C4' energy: -124.187
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -79.690
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: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -873.173446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.173446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.173446 (E_RNA)
where:
Base-Base interactions energy: -421.143
where: short stacking energy: -253.122
Base-Backbone interact. energy: 2.588
local terms energy: -454.618470
where:
bonds (distance) C4'-P energy: -120.165
bonds (distance) P-C4' energy: -129.661
flat angles C4'-P-C4' energy: -119.386
flat angles P-C4'-P energy: -65.432
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -630.184461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.184461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.184461 (E_RNA)
where:
Base-Base interactions energy: -231.188
where: short stacking energy: -164.333
Base-Backbone interact. energy: -1.897
local terms energy: -397.100131
where:
bonds (distance) C4'-P energy: -115.567
bonds (distance) P-C4' energy: -119.151
flat angles C4'-P-C4' energy: -107.617
flat angles P-C4'-P energy: -47.528
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2633.054840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.054840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.054840 (E_RNA)
where:
Base-Base interactions energy: -1828.211
where: short stacking energy: -750.052
Base-Backbone interact. energy: -3.912
local terms energy: -800.931630
where:
bonds (distance) C4'-P energy: -139.881
bonds (distance) P-C4' energy: -158.994
flat angles C4'-P-C4' energy: -164.975
flat angles P-C4'-P energy: -113.844
tors. eta vs tors. theta energy: -223.237
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: 4
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -2365.768992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.768992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.768992 (E_RNA)
where:
Base-Base interactions energy: -1600.758
where: short stacking energy: -682.981
Base-Backbone interact. energy: -2.303
local terms energy: -762.707362
where:
bonds (distance) C4'-P energy: -123.736
bonds (distance) P-C4' energy: -159.110
flat angles C4'-P-C4' energy: -163.960
flat angles P-C4'-P energy: -113.139
tors. eta vs tors. theta energy: -202.762
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: 3
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -2269.553762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.553762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.553762 (E_RNA)
where:
Base-Base interactions energy: -1530.711
where: short stacking energy: -631.826
Base-Backbone interact. energy: -2.741
local terms energy: -736.101044
where:
bonds (distance) C4'-P energy: -132.783
bonds (distance) P-C4' energy: -142.740
flat angles C4'-P-C4' energy: -158.367
flat angles P-C4'-P energy: -117.717
tors. eta vs tors. theta energy: -184.494
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: 122
Temperature: 1.050000
Total energy: -2053.068236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.068236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.068236 (E_RNA)
where:
Base-Base interactions energy: -1363.001
where: short stacking energy: -616.235
Base-Backbone interact. energy: -1.630
local terms energy: -688.437229
where:
bonds (distance) C4'-P energy: -120.614
bonds (distance) P-C4' energy: -137.578
flat angles C4'-P-C4' energy: -150.099
flat angles P-C4'-P energy: -108.428
tors. eta vs tors. theta energy: -171.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1922.088234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.088234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.088234 (E_RNA)
where:
Base-Base interactions energy: -1266.191
where: short stacking energy: -542.683
Base-Backbone interact. energy: 2.285
local terms energy: -658.182051
where:
bonds (distance) C4'-P energy: -146.096
bonds (distance) P-C4' energy: -145.021
flat angles C4'-P-C4' energy: -133.357
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -154.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1844.784959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.784959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.784959 (E_RNA)
where:
Base-Base interactions energy: -1205.913
where: short stacking energy: -479.550
Base-Backbone interact. energy: -2.621
local terms energy: -636.251221
where:
bonds (distance) C4'-P energy: -132.819
bonds (distance) P-C4' energy: -139.577
flat angles C4'-P-C4' energy: -141.245
flat angles P-C4'-P energy: -95.727
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: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1269.800116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.800116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.800116 (E_RNA)
where:
Base-Base interactions energy: -744.602
where: short stacking energy: -324.411
Base-Backbone interact. energy: 1.762
local terms energy: -526.959772
where:
bonds (distance) C4'-P energy: -131.496
bonds (distance) P-C4' energy: -158.046
flat angles C4'-P-C4' energy: -116.812
flat angles P-C4'-P energy: -78.119
tors. eta vs tors. theta energy: -42.487
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: 7
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1297.241928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.241928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.241928 (E_RNA)
where:
Base-Base interactions energy: -758.415
where: short stacking energy: -364.844
Base-Backbone interact. energy: 2.105
local terms energy: -540.932451
where:
bonds (distance) C4'-P energy: -128.871
bonds (distance) P-C4' energy: -132.469
flat angles C4'-P-C4' energy: -137.221
flat angles P-C4'-P energy: -79.737
tors. eta vs tors. theta energy: -62.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -825.481718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.481718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.481718 (E_RNA)
where:
Base-Base interactions energy: -377.729
where: short stacking energy: -205.235
Base-Backbone interact. energy: -1.164
local terms energy: -446.588892
where:
bonds (distance) C4'-P energy: -126.875
bonds (distance) P-C4' energy: -137.278
flat angles C4'-P-C4' energy: -131.599
flat angles P-C4'-P energy: -54.076
tors. eta vs tors. theta energy: 3.239
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: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -627.869878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.869878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.869878 (E_RNA)
where:
Base-Base interactions energy: -245.055
where: short stacking energy: -170.426
Base-Backbone interact. energy: -3.591
local terms energy: -379.223838
where:
bonds (distance) C4'-P energy: -118.317
bonds (distance) P-C4' energy: -127.642
flat angles C4'-P-C4' energy: -97.461
flat angles P-C4'-P energy: -53.649
tors. eta vs tors. theta energy: 17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2635.107703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.107703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.107703 (E_RNA)
where:
Base-Base interactions energy: -1814.714
where: short stacking energy: -734.357
Base-Backbone interact. energy: -0.453
local terms energy: -819.940641
where:
bonds (distance) C4'-P energy: -142.555
bonds (distance) P-C4' energy: -158.318
flat angles C4'-P-C4' energy: -173.212
flat angles P-C4'-P energy: -123.459
tors. eta vs tors. theta energy: -222.397
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: 4
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -2380.685746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.685746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.685746 (E_RNA)
where:
Base-Base interactions energy: -1621.831
where: short stacking energy: -687.470
Base-Backbone interact. energy: -3.060
local terms energy: -755.794821
where:
bonds (distance) C4'-P energy: -148.362
bonds (distance) P-C4' energy: -133.377
flat angles C4'-P-C4' energy: -162.281
flat angles P-C4'-P energy: -105.246
tors. eta vs tors. theta energy: -206.529
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: 3
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -2246.108220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.108220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.108220 (E_RNA)
where:
Base-Base interactions energy: -1498.488
where: short stacking energy: -624.111
Base-Backbone interact. energy: -3.372
local terms energy: -744.248875
where:
bonds (distance) C4'-P energy: -144.280
bonds (distance) P-C4' energy: -146.764
flat angles C4'-P-C4' energy: -159.254
flat angles P-C4'-P energy: -95.229
tors. eta vs tors. theta energy: -198.722
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: 9
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -2060.243172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.243172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.243172 (E_RNA)
where:
Base-Base interactions energy: -1372.015
where: short stacking energy: -620.843
Base-Backbone interact. energy: -0.902
local terms energy: -687.326500
where:
bonds (distance) C4'-P energy: -118.698
bonds (distance) P-C4' energy: -143.668
flat angles C4'-P-C4' energy: -149.429
flat angles P-C4'-P energy: -102.913
tors. eta vs tors. theta energy: -172.618
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: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1981.307017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.307017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.307017 (E_RNA)
where:
Base-Base interactions energy: -1289.171
where: short stacking energy: -564.702
Base-Backbone interact. energy: -2.973
local terms energy: -689.163247
where:
bonds (distance) C4'-P energy: -134.970
bonds (distance) P-C4' energy: -138.630
flat angles C4'-P-C4' energy: -161.199
flat angles P-C4'-P energy: -93.580
tors. eta vs tors. theta energy: -160.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1853.710470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.710470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.710470 (E_RNA)
where:
Base-Base interactions energy: -1229.524
where: short stacking energy: -502.506
Base-Backbone interact. energy: -0.410
local terms energy: -623.776186
where:
bonds (distance) C4'-P energy: -127.459
bonds (distance) P-C4' energy: -130.460
flat angles C4'-P-C4' energy: -157.615
flat angles P-C4'-P energy: -76.213
tors. eta vs tors. theta energy: -132.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1223.665324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.665324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.665324 (E_RNA)
where:
Base-Base interactions energy: -707.849
where: short stacking energy: -359.691
Base-Backbone interact. energy: -0.960
local terms energy: -514.856178
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -137.785
flat angles C4'-P-C4' energy: -115.382
flat angles P-C4'-P energy: -82.393
tors. eta vs tors. theta energy: -56.094
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: 7
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1251.009855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.009855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.009855 (E_RNA)
where:
Base-Base interactions energy: -740.670
where: short stacking energy: -342.900
Base-Backbone interact. energy: 3.764
local terms energy: -514.104209
where:
bonds (distance) C4'-P energy: -125.361
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -125.061
flat angles P-C4'-P energy: -80.110
tors. eta vs tors. theta energy: -62.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -761.221449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.221449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.221449 (E_RNA)
where:
Base-Base interactions energy: -365.737
where: short stacking energy: -224.875
Base-Backbone interact. energy: 1.224
local terms energy: -396.707594
where:
bonds (distance) C4'-P energy: -109.378
bonds (distance) P-C4' energy: -132.281
flat angles C4'-P-C4' energy: -96.990
flat angles P-C4'-P energy: -56.631
tors. eta vs tors. theta energy: -1.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -567.748299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.748299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.748299 (E_RNA)
where:
Base-Base interactions energy: -206.667
where: short stacking energy: -158.837
Base-Backbone interact. energy: -2.355
local terms energy: -358.726121
where:
bonds (distance) C4'-P energy: -125.532
bonds (distance) P-C4' energy: -109.355
flat angles C4'-P-C4' energy: -91.573
flat angles P-C4'-P energy: -58.346
tors. eta vs tors. theta energy: 26.079
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: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2643.802310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.802310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.802310 (E_RNA)
where:
Base-Base interactions energy: -1787.616
where: short stacking energy: -736.880
Base-Backbone interact. energy: -5.046
local terms energy: -851.140464
where:
bonds (distance) C4'-P energy: -168.280
bonds (distance) P-C4' energy: -151.747
flat angles C4'-P-C4' energy: -181.441
flat angles P-C4'-P energy: -116.858
tors. eta vs tors. theta energy: -232.815
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: 4
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -2369.765399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.765399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.765399 (E_RNA)
where:
Base-Base interactions energy: -1627.859
where: short stacking energy: -694.466
Base-Backbone interact. energy: -5.458
local terms energy: -736.448333
where:
bonds (distance) C4'-P energy: -134.982
bonds (distance) P-C4' energy: -128.593
flat angles C4'-P-C4' energy: -164.206
flat angles P-C4'-P energy: -113.063
tors. eta vs tors. theta energy: -195.605
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: 3
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -2334.123994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.123994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.123994 (E_RNA)
where:
Base-Base interactions energy: -1545.343
where: short stacking energy: -666.171
Base-Backbone interact. energy: -3.315
local terms energy: -785.466040
where:
bonds (distance) C4'-P energy: -151.737
bonds (distance) P-C4' energy: -160.747
flat angles C4'-P-C4' energy: -171.452
flat angles P-C4'-P energy: -98.809
tors. eta vs tors. theta energy: -202.721
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: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -2064.425745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.425745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.425745 (E_RNA)
where:
Base-Base interactions energy: -1319.006
where: short stacking energy: -583.272
Base-Backbone interact. energy: 2.880
local terms energy: -748.299679
where:
bonds (distance) C4'-P energy: -138.808
bonds (distance) P-C4' energy: -159.749
flat angles C4'-P-C4' energy: -157.603
flat angles P-C4'-P energy: -114.885
tors. eta vs tors. theta energy: -177.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1949.830714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.830714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.830714 (E_RNA)
where:
Base-Base interactions energy: -1303.342
where: short stacking energy: -574.914
Base-Backbone interact. energy: 1.562
local terms energy: -648.050137
where:
bonds (distance) C4'-P energy: -111.945
bonds (distance) P-C4' energy: -145.392
flat angles C4'-P-C4' energy: -148.040
flat angles P-C4'-P energy: -98.174
tors. eta vs tors. theta energy: -144.498
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: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1757.256484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.256484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.256484 (E_RNA)
where:
Base-Base interactions energy: -1145.311
where: short stacking energy: -463.680
Base-Backbone interact. energy: 0.962
local terms energy: -612.907259
where:
bonds (distance) C4'-P energy: -147.486
bonds (distance) P-C4' energy: -120.271
flat angles C4'-P-C4' energy: -151.958
flat angles P-C4'-P energy: -84.535
tors. eta vs tors. theta energy: -108.657
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: 124
Temperature: 1.200000
Total energy: -1312.865850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.865850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.865850 (E_RNA)
where:
Base-Base interactions energy: -779.560
where: short stacking energy: -385.107
Base-Backbone interact. energy: 1.626
local terms energy: -534.931591
where:
bonds (distance) C4'-P energy: -121.515
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -124.442
flat angles P-C4'-P energy: -93.208
tors. eta vs tors. theta energy: -81.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1193.088053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.088053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.088053 (E_RNA)
where:
Base-Base interactions energy: -661.995
where: short stacking energy: -306.360
Base-Backbone interact. energy: -0.319
local terms energy: -530.773909
where:
bonds (distance) C4'-P energy: -141.782
bonds (distance) P-C4' energy: -143.540
flat angles C4'-P-C4' energy: -127.412
flat angles P-C4'-P energy: -64.205
tors. eta vs tors. theta energy: -53.835
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: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -796.564518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.564518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.564518 (E_RNA)
where:
Base-Base interactions energy: -405.587
where: short stacking energy: -210.320
Base-Backbone interact. energy: -1.208
local terms energy: -389.769897
where:
bonds (distance) C4'-P energy: -106.097
bonds (distance) P-C4' energy: -117.808
flat angles C4'-P-C4' energy: -105.992
flat angles P-C4'-P energy: -53.070
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -602.006189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.006189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.006189 (E_RNA)
where:
Base-Base interactions energy: -200.584
where: short stacking energy: -150.706
Base-Backbone interact. energy: 3.269
local terms energy: -404.691805
where:
bonds (distance) C4'-P energy: -132.265
bonds (distance) P-C4' energy: -137.726
flat angles C4'-P-C4' energy: -117.995
flat angles P-C4'-P energy: -45.617
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2604.065789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.065789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.065789 (E_RNA)
where:
Base-Base interactions energy: -1754.419
where: short stacking energy: -727.706
Base-Backbone interact. energy: -5.293
local terms energy: -844.353993
where:
bonds (distance) C4'-P energy: -169.671
bonds (distance) P-C4' energy: -150.699
flat angles C4'-P-C4' energy: -167.871
flat angles P-C4'-P energy: -122.035
tors. eta vs tors. theta energy: -234.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -2367.839040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.839040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.839040 (E_RNA)
where:
Base-Base interactions energy: -1594.260
where: short stacking energy: -645.564
Base-Backbone interact. energy: -1.204
local terms energy: -772.375135
where:
bonds (distance) C4'-P energy: -148.603
bonds (distance) P-C4' energy: -155.475
flat angles C4'-P-C4' energy: -166.967
flat angles P-C4'-P energy: -113.708
tors. eta vs tors. theta energy: -187.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -2330.436382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.436382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.436382 (E_RNA)
where:
Base-Base interactions energy: -1600.595
where: short stacking energy: -681.557
Base-Backbone interact. energy: -0.282
local terms energy: -729.559001
where:
bonds (distance) C4'-P energy: -125.963
bonds (distance) P-C4' energy: -143.404
flat angles C4'-P-C4' energy: -151.870
flat angles P-C4'-P energy: -105.253
tors. eta vs tors. theta energy: -203.069
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: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -2081.902302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.902302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.902302 (E_RNA)
where:
Base-Base interactions energy: -1362.596
where: short stacking energy: -593.962
Base-Backbone interact. energy: -1.940
local terms energy: -717.366130
where:
bonds (distance) C4'-P energy: -143.722
bonds (distance) P-C4' energy: -139.847
flat angles C4'-P-C4' energy: -172.784
flat angles P-C4'-P energy: -102.104
tors. eta vs tors. theta energy: -158.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1925.307730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.307730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.307730 (E_RNA)
where:
Base-Base interactions energy: -1270.617
where: short stacking energy: -545.464
Base-Backbone interact. energy: -1.791
local terms energy: -652.899249
where:
bonds (distance) C4'-P energy: -139.684
bonds (distance) P-C4' energy: -129.252
flat angles C4'-P-C4' energy: -152.304
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -147.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1845.691836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.691836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.691836 (E_RNA)
where:
Base-Base interactions energy: -1251.809
where: short stacking energy: -516.377
Base-Backbone interact. energy: 3.974
local terms energy: -597.856884
where:
bonds (distance) C4'-P energy: -124.557
bonds (distance) P-C4' energy: -128.970
flat angles C4'-P-C4' energy: -144.297
flat angles P-C4'-P energy: -76.522
tors. eta vs tors. theta energy: -123.510
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1342.808277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.808277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.808277 (E_RNA)
where:
Base-Base interactions energy: -803.118
where: short stacking energy: -375.755
Base-Backbone interact. energy: -4.263
local terms energy: -535.427947
where:
bonds (distance) C4'-P energy: -132.408
bonds (distance) P-C4' energy: -116.955
flat angles C4'-P-C4' energy: -135.120
flat angles P-C4'-P energy: -87.073
tors. eta vs tors. theta energy: -63.871
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: 125
Temperature: 1.250000
Total energy: -1270.811810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.811810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.811810 (E_RNA)
where:
Base-Base interactions energy: -766.242
where: short stacking energy: -343.949
Base-Backbone interact. energy: 3.545
local terms energy: -508.114436
where:
bonds (distance) C4'-P energy: -131.800
bonds (distance) P-C4' energy: -121.848
flat angles C4'-P-C4' energy: -134.269
flat angles P-C4'-P energy: -67.074
tors. eta vs tors. theta energy: -53.123
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: 125
Temperature: 1.300000
Total energy: -800.778609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.778609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.778609 (E_RNA)
where:
Base-Base interactions energy: -373.777
where: short stacking energy: -211.183
Base-Backbone interact. energy: -4.510
local terms energy: -422.492327
where:
bonds (distance) C4'-P energy: -135.293
bonds (distance) P-C4' energy: -115.379
flat angles C4'-P-C4' energy: -116.696
flat angles P-C4'-P energy: -56.654
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -611.755871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.755871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.755871 (E_RNA)
where:
Base-Base interactions energy: -243.645
where: short stacking energy: -174.487
Base-Backbone interact. energy: 3.100
local terms energy: -371.211119
where:
bonds (distance) C4'-P energy: -110.745
bonds (distance) P-C4' energy: -127.500
flat angles C4'-P-C4' energy: -111.831
flat angles P-C4'-P energy: -50.282
tors. eta vs tors. theta energy: 29.147
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: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2620.277907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.277907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.277907 (E_RNA)
where:
Base-Base interactions energy: -1825.072
where: short stacking energy: -767.737
Base-Backbone interact. energy: -0.792
local terms energy: -794.414592
where:
bonds (distance) C4'-P energy: -138.258
bonds (distance) P-C4' energy: -139.166
flat angles C4'-P-C4' energy: -176.706
flat angles P-C4'-P energy: -111.458
tors. eta vs tors. theta energy: -228.827
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: 126
Temperature: 0.950000
Total energy: -2385.376054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.376054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.376054 (E_RNA)
where:
Base-Base interactions energy: -1631.196
where: short stacking energy: -639.834
Base-Backbone interact. energy: -3.211
local terms energy: -750.968757
where:
bonds (distance) C4'-P energy: -146.519
bonds (distance) P-C4' energy: -139.300
flat angles C4'-P-C4' energy: -167.602
flat angles P-C4'-P energy: -110.674
tors. eta vs tors. theta energy: -186.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -2289.351411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.351411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.351411 (E_RNA)
where:
Base-Base interactions energy: -1559.818
where: short stacking energy: -666.906
Base-Backbone interact. energy: -5.096
local terms energy: -724.437411
where:
bonds (distance) C4'-P energy: -134.332
bonds (distance) P-C4' energy: -141.678
flat angles C4'-P-C4' energy: -145.397
flat angles P-C4'-P energy: -99.033
tors. eta vs tors. theta energy: -203.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -2079.798793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.798793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.798793 (E_RNA)
where:
Base-Base interactions energy: -1344.622
where: short stacking energy: -565.813
Base-Backbone interact. energy: -5.963
local terms energy: -729.214136
where:
bonds (distance) C4'-P energy: -130.427
bonds (distance) P-C4' energy: -157.779
flat angles C4'-P-C4' energy: -173.344
flat angles P-C4'-P energy: -105.398
tors. eta vs tors. theta energy: -162.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1941.740270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.740270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.740270 (E_RNA)
where:
Base-Base interactions energy: -1285.498
where: short stacking energy: -564.101
Base-Backbone interact. energy: -2.698
local terms energy: -653.544487
where:
bonds (distance) C4'-P energy: -130.186
bonds (distance) P-C4' energy: -131.907
flat angles C4'-P-C4' energy: -155.018
flat angles P-C4'-P energy: -97.489
tors. eta vs tors. theta energy: -138.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1839.714247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.714247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.714247 (E_RNA)
where:
Base-Base interactions energy: -1240.949
where: short stacking energy: -511.210
Base-Backbone interact. energy: -0.217
local terms energy: -598.548267
where:
bonds (distance) C4'-P energy: -115.480
bonds (distance) P-C4' energy: -135.086
flat angles C4'-P-C4' energy: -139.611
flat angles P-C4'-P energy: -83.880
tors. eta vs tors. theta energy: -124.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1341.919515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.919515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.919515 (E_RNA)
where:
Base-Base interactions energy: -804.883
where: short stacking energy: -375.993
Base-Backbone interact. energy: -0.584
local terms energy: -536.452962
where:
bonds (distance) C4'-P energy: -120.019
bonds (distance) P-C4' energy: -132.603
flat angles C4'-P-C4' energy: -124.959
flat angles P-C4'-P energy: -97.358
tors. eta vs tors. theta energy: -61.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1106.782990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.782990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.782990 (E_RNA)
where:
Base-Base interactions energy: -651.599
where: short stacking energy: -304.667
Base-Backbone interact. energy: -2.174
local terms energy: -453.009691
where:
bonds (distance) C4'-P energy: -123.191
bonds (distance) P-C4' energy: -126.906
flat angles C4'-P-C4' energy: -97.283
flat angles P-C4'-P energy: -63.768
tors. eta vs tors. theta energy: -41.861
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: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -747.022829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.022829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.022829 (E_RNA)
where:
Base-Base interactions energy: -363.632
where: short stacking energy: -243.382
Base-Backbone interact. energy: -0.034
local terms energy: -383.356144
where:
bonds (distance) C4'-P energy: -114.034
bonds (distance) P-C4' energy: -121.937
flat angles C4'-P-C4' energy: -106.078
flat angles P-C4'-P energy: -57.439
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -616.208969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.208969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.208969 (E_RNA)
where:
Base-Base interactions energy: -235.126
where: short stacking energy: -157.173
Base-Backbone interact. energy: 0.231
local terms energy: -381.313717
where:
bonds (distance) C4'-P energy: -128.464
bonds (distance) P-C4' energy: -129.796
flat angles C4'-P-C4' energy: -83.838
flat angles P-C4'-P energy: -62.355
tors. eta vs tors. theta energy: 23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2600.507127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.507127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.507127 (E_RNA)
where:
Base-Base interactions energy: -1779.820
where: short stacking energy: -726.799
Base-Backbone interact. energy: -2.442
local terms energy: -818.244449
where:
bonds (distance) C4'-P energy: -155.410
bonds (distance) P-C4' energy: -152.616
flat angles C4'-P-C4' energy: -174.134
flat angles P-C4'-P energy: -116.562
tors. eta vs tors. theta energy: -219.523
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: 127
Temperature: 0.950000
Total energy: -2402.626508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.626508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.626508 (E_RNA)
where:
Base-Base interactions energy: -1631.760
where: short stacking energy: -679.916
Base-Backbone interact. energy: -0.194
local terms energy: -770.672518
where:
bonds (distance) C4'-P energy: -154.648
bonds (distance) P-C4' energy: -149.644
flat angles C4'-P-C4' energy: -171.352
flat angles P-C4'-P energy: -101.428
tors. eta vs tors. theta energy: -193.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -2294.667899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.667899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.667899 (E_RNA)
where:
Base-Base interactions energy: -1549.681
where: short stacking energy: -640.165
Base-Backbone interact. energy: -3.711
local terms energy: -741.276291
where:
bonds (distance) C4'-P energy: -149.203
bonds (distance) P-C4' energy: -143.120
flat angles C4'-P-C4' energy: -164.420
flat angles P-C4'-P energy: -96.586
tors. eta vs tors. theta energy: -187.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -2112.930640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.930640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.930640 (E_RNA)
where:
Base-Base interactions energy: -1404.827
where: short stacking energy: -620.007
Base-Backbone interact. energy: -2.623
local terms energy: -705.481409
where:
bonds (distance) C4'-P energy: -131.449
bonds (distance) P-C4' energy: -147.001
flat angles C4'-P-C4' energy: -161.886
flat angles P-C4'-P energy: -84.201
tors. eta vs tors. theta energy: -180.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1968.589500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.589500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.589500 (E_RNA)
where:
Base-Base interactions energy: -1328.319
where: short stacking energy: -564.742
Base-Backbone interact. energy: 0.287
local terms energy: -640.558212
where:
bonds (distance) C4'-P energy: -119.164
bonds (distance) P-C4' energy: -128.731
flat angles C4'-P-C4' energy: -146.369
flat angles P-C4'-P energy: -93.164
tors. eta vs tors. theta energy: -153.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1764.767059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.767059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.767059 (E_RNA)
where:
Base-Base interactions energy: -1154.536
where: short stacking energy: -472.108
Base-Backbone interact. energy: -1.199
local terms energy: -609.031735
where:
bonds (distance) C4'-P energy: -121.609
bonds (distance) P-C4' energy: -130.879
flat angles C4'-P-C4' energy: -146.233
flat angles P-C4'-P energy: -93.887
tors. eta vs tors. theta energy: -116.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1313.098722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.098722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.098722 (E_RNA)
where:
Base-Base interactions energy: -790.720
where: short stacking energy: -371.423
Base-Backbone interact. energy: 0.708
local terms energy: -523.087187
where:
bonds (distance) C4'-P energy: -123.642
bonds (distance) P-C4' energy: -127.038
flat angles C4'-P-C4' energy: -121.596
flat angles P-C4'-P energy: -88.704
tors. eta vs tors. theta energy: -62.107
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: 127
Temperature: 1.250000
Total energy: -1102.634664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.634664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.634664 (E_RNA)
where:
Base-Base interactions energy: -654.482
where: short stacking energy: -342.144
Base-Backbone interact. energy: 0.978
local terms energy: -449.130557
where:
bonds (distance) C4'-P energy: -122.006
bonds (distance) P-C4' energy: -130.254
flat angles C4'-P-C4' energy: -102.882
flat angles P-C4'-P energy: -59.629
tors. eta vs tors. theta energy: -34.360
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: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -755.402505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.402505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.402505 (E_RNA)
where:
Base-Base interactions energy: -363.450
where: short stacking energy: -209.702
Base-Backbone interact. energy: 3.665
local terms energy: -395.617410
where:
bonds (distance) C4'-P energy: -117.753
bonds (distance) P-C4' energy: -122.683
flat angles C4'-P-C4' energy: -95.902
flat angles P-C4'-P energy: -65.373
tors. eta vs tors. theta energy: 6.094
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: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -605.592824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.592824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.592824 (E_RNA)
where:
Base-Base interactions energy: -241.709
where: short stacking energy: -165.899
Base-Backbone interact. energy: -0.874
local terms energy: -363.009569
where:
bonds (distance) C4'-P energy: -124.897
bonds (distance) P-C4' energy: -101.034
flat angles C4'-P-C4' energy: -91.363
flat angles P-C4'-P energy: -65.223
tors. eta vs tors. theta energy: 19.509
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: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2582.133566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.133566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.133566 (E_RNA)
where:
Base-Base interactions energy: -1758.900
where: short stacking energy: -737.928
Base-Backbone interact. energy: -2.975
local terms energy: -820.258208
where:
bonds (distance) C4'-P energy: -151.661
bonds (distance) P-C4' energy: -155.526
flat angles C4'-P-C4' energy: -172.365
flat angles P-C4'-P energy: -112.498
tors. eta vs tors. theta energy: -228.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -2439.050852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.050852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.050852 (E_RNA)
where:
Base-Base interactions energy: -1671.736
where: short stacking energy: -679.066
Base-Backbone interact. energy: -0.057
local terms energy: -767.258116
where:
bonds (distance) C4'-P energy: -144.486
bonds (distance) P-C4' energy: -151.260
flat angles C4'-P-C4' energy: -159.120
flat angles P-C4'-P energy: -110.844
tors. eta vs tors. theta energy: -201.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -2184.901776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.901776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.901776 (E_RNA)
where:
Base-Base interactions energy: -1483.801
where: short stacking energy: -625.114
Base-Backbone interact. energy: 2.370
local terms energy: -703.471110
where:
bonds (distance) C4'-P energy: -135.088
bonds (distance) P-C4' energy: -143.534
flat angles C4'-P-C4' energy: -153.172
flat angles P-C4'-P energy: -88.872
tors. eta vs tors. theta energy: -182.804
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: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -2200.213797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.213797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.213797 (E_RNA)
where:
Base-Base interactions energy: -1471.171
where: short stacking energy: -621.436
Base-Backbone interact. energy: -1.053
local terms energy: -727.989670
where:
bonds (distance) C4'-P energy: -135.225
bonds (distance) P-C4' energy: -145.108
flat angles C4'-P-C4' energy: -154.485
flat angles P-C4'-P energy: -103.975
tors. eta vs tors. theta energy: -189.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1947.909429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.909429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.909429 (E_RNA)
where:
Base-Base interactions energy: -1290.853
where: short stacking energy: -567.774
Base-Backbone interact. energy: 1.792
local terms energy: -658.848611
where:
bonds (distance) C4'-P energy: -128.943
bonds (distance) P-C4' energy: -144.268
flat angles C4'-P-C4' energy: -135.344
flat angles P-C4'-P energy: -93.094
tors. eta vs tors. theta energy: -157.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1769.734374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.734374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.734374 (E_RNA)
where:
Base-Base interactions energy: -1189.201
where: short stacking energy: -441.085
Base-Backbone interact. energy: -2.585
local terms energy: -577.947960
where:
bonds (distance) C4'-P energy: -125.297
bonds (distance) P-C4' energy: -123.930
flat angles C4'-P-C4' energy: -140.518
flat angles P-C4'-P energy: -83.372
tors. eta vs tors. theta energy: -104.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1291.384263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.384263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.384263 (E_RNA)
where:
Base-Base interactions energy: -781.972
where: short stacking energy: -355.138
Base-Backbone interact. energy: -2.679
local terms energy: -506.733061
where:
bonds (distance) C4'-P energy: -115.321
bonds (distance) P-C4' energy: -136.159
flat angles C4'-P-C4' energy: -108.260
flat angles P-C4'-P energy: -85.016
tors. eta vs tors. theta energy: -61.977
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: 10
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1146.864821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.864821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.864821 (E_RNA)
where:
Base-Base interactions energy: -676.550
where: short stacking energy: -319.209
Base-Backbone interact. energy: 0.625
local terms energy: -470.940080
where:
bonds (distance) C4'-P energy: -135.137
bonds (distance) P-C4' energy: -124.776
flat angles C4'-P-C4' energy: -112.956
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -23.508
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: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -765.430286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.430286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.430286 (E_RNA)
where:
Base-Base interactions energy: -357.366
where: short stacking energy: -204.481
Base-Backbone interact. energy: 3.204
local terms energy: -411.268237
where:
bonds (distance) C4'-P energy: -115.244
bonds (distance) P-C4' energy: -127.113
flat angles C4'-P-C4' energy: -117.022
flat angles P-C4'-P energy: -57.217
tors. eta vs tors. theta energy: 5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -630.735966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.735966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.735966 (E_RNA)
where:
Base-Base interactions energy: -253.780
where: short stacking energy: -183.535
Base-Backbone interact. energy: 2.187
local terms energy: -379.142792
where:
bonds (distance) C4'-P energy: -94.903
bonds (distance) P-C4' energy: -120.697
flat angles C4'-P-C4' energy: -117.473
flat angles P-C4'-P energy: -66.787
tors. eta vs tors. theta energy: 20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2620.377579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.377579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.377579 (E_RNA)
where:
Base-Base interactions energy: -1803.701
where: short stacking energy: -741.539
Base-Backbone interact. energy: -4.194
local terms energy: -812.482338
where:
bonds (distance) C4'-P energy: -164.861
bonds (distance) P-C4' energy: -143.679
flat angles C4'-P-C4' energy: -164.371
flat angles P-C4'-P energy: -112.573
tors. eta vs tors. theta energy: -226.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -2409.848046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.848046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.848046 (E_RNA)
where:
Base-Base interactions energy: -1649.903
where: short stacking energy: -650.576
Base-Backbone interact. energy: -4.702
local terms energy: -755.243042
where:
bonds (distance) C4'-P energy: -144.400
bonds (distance) P-C4' energy: -136.355
flat angles C4'-P-C4' energy: -169.406
flat angles P-C4'-P energy: -108.863
tors. eta vs tors. theta energy: -196.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -2206.188652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.188652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.188652 (E_RNA)
where:
Base-Base interactions energy: -1477.142
where: short stacking energy: -626.533
Base-Backbone interact. energy: -4.642
local terms energy: -724.404540
where:
bonds (distance) C4'-P energy: -143.397
bonds (distance) P-C4' energy: -140.425
flat angles C4'-P-C4' energy: -168.459
flat angles P-C4'-P energy: -100.868
tors. eta vs tors. theta energy: -171.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -2196.831087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.831087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.831087 (E_RNA)
where:
Base-Base interactions energy: -1470.397
where: short stacking energy: -618.612
Base-Backbone interact. energy: -2.227
local terms energy: -724.207876
where:
bonds (distance) C4'-P energy: -148.958
bonds (distance) P-C4' energy: -132.659
flat angles C4'-P-C4' energy: -147.153
flat angles P-C4'-P energy: -106.759
tors. eta vs tors. theta energy: -188.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1967.456596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.456596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.456596 (E_RNA)
where:
Base-Base interactions energy: -1325.124
where: short stacking energy: -580.935
Base-Backbone interact. energy: 3.731
local terms energy: -646.063724
where:
bonds (distance) C4'-P energy: -127.811
bonds (distance) P-C4' energy: -130.540
flat angles C4'-P-C4' energy: -142.197
flat angles P-C4'-P energy: -90.802
tors. eta vs tors. theta energy: -154.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1780.744501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.744501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.744501 (E_RNA)
where:
Base-Base interactions energy: -1166.004
where: short stacking energy: -472.113
Base-Backbone interact. energy: 0.544
local terms energy: -615.284889
where:
bonds (distance) C4'-P energy: -134.981
bonds (distance) P-C4' energy: -147.281
flat angles C4'-P-C4' energy: -127.018
flat angles P-C4'-P energy: -89.731
tors. eta vs tors. theta energy: -116.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1324.642451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.642451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.642451 (E_RNA)
where:
Base-Base interactions energy: -767.617
where: short stacking energy: -356.130
Base-Backbone interact. energy: 1.097
local terms energy: -558.122051
where:
bonds (distance) C4'-P energy: -135.068
bonds (distance) P-C4' energy: -143.303
flat angles C4'-P-C4' energy: -133.225
flat angles P-C4'-P energy: -83.390
tors. eta vs tors. theta energy: -63.136
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: 129
Temperature: 1.250000
Total energy: -1171.989807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.989807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.989807 (E_RNA)
where:
Base-Base interactions energy: -657.404
where: short stacking energy: -309.417
Base-Backbone interact. energy: -1.166
local terms energy: -513.419575
where:
bonds (distance) C4'-P energy: -127.741
bonds (distance) P-C4' energy: -139.672
flat angles C4'-P-C4' energy: -130.257
flat angles P-C4'-P energy: -81.436
tors. eta vs tors. theta energy: -34.314
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: 129
Temperature: 1.300000
Total energy: -795.146677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.146677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.146677 (E_RNA)
where:
Base-Base interactions energy: -384.768
where: short stacking energy: -245.583
Base-Backbone interact. energy: 2.619
local terms energy: -412.997585
where:
bonds (distance) C4'-P energy: -117.948
bonds (distance) P-C4' energy: -128.569
flat angles C4'-P-C4' energy: -78.508
flat angles P-C4'-P energy: -77.479
tors. eta vs tors. theta energy: -10.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -618.125512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.125512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.125512 (E_RNA)
where:
Base-Base interactions energy: -236.164
where: short stacking energy: -154.072
Base-Backbone interact. energy: -2.310
local terms energy: -379.650978
where:
bonds (distance) C4'-P energy: -113.206
bonds (distance) P-C4' energy: -126.192
flat angles C4'-P-C4' energy: -104.615
flat angles P-C4'-P energy: -47.232
tors. eta vs tors. theta energy: 11.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -2633.848454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.848454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.848454 (E_RNA)
where:
Base-Base interactions energy: -1805.878
where: short stacking energy: -774.058
Base-Backbone interact. energy: -3.136
local terms energy: -824.834461
where:
bonds (distance) C4'-P energy: -157.485
bonds (distance) P-C4' energy: -148.889
flat angles C4'-P-C4' energy: -170.873
flat angles P-C4'-P energy: -108.916
tors. eta vs tors. theta energy: -238.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -2446.242002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2446.242002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2446.242002 (E_RNA)
where:
Base-Base interactions energy: -1659.155
where: short stacking energy: -701.228
Base-Backbone interact. energy: -1.836
local terms energy: -785.251004
where:
bonds (distance) C4'-P energy: -144.056
bonds (distance) P-C4' energy: -151.978
flat angles C4'-P-C4' energy: -172.669
flat angles P-C4'-P energy: -110.850
tors. eta vs tors. theta energy: -205.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -2179.488414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.488414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.488414 (E_RNA)
where:
Base-Base interactions energy: -1465.805
where: short stacking energy: -643.075
Base-Backbone interact. energy: -0.821
local terms energy: -712.862705
where:
bonds (distance) C4'-P energy: -133.572
bonds (distance) P-C4' energy: -143.817
flat angles C4'-P-C4' energy: -148.858
flat angles P-C4'-P energy: -104.249
tors. eta vs tors. theta energy: -182.367
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: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -2117.557900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.557900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.557900 (E_RNA)
where:
Base-Base interactions energy: -1390.635
where: short stacking energy: -591.998
Base-Backbone interact. energy: -5.635
local terms energy: -721.287975
where:
bonds (distance) C4'-P energy: -134.392
bonds (distance) P-C4' energy: -157.620
flat angles C4'-P-C4' energy: -156.807
flat angles P-C4'-P energy: -103.103
tors. eta vs tors. theta energy: -169.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1998.522073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.522073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.522073 (E_RNA)
where:
Base-Base interactions energy: -1337.893
where: short stacking energy: -570.966
Base-Backbone interact. energy: -0.056
local terms energy: -660.572998
where:
bonds (distance) C4'-P energy: -128.221
bonds (distance) P-C4' energy: -133.032
flat angles C4'-P-C4' energy: -151.286
flat angles P-C4'-P energy: -100.518
tors. eta vs tors. theta energy: -147.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1788.172168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.172168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.172168 (E_RNA)
where:
Base-Base interactions energy: -1171.768
where: short stacking energy: -477.716
Base-Backbone interact. energy: -3.212
local terms energy: -613.192352
where:
bonds (distance) C4'-P energy: -124.967
bonds (distance) P-C4' energy: -127.218
flat angles C4'-P-C4' energy: -141.724
flat angles P-C4'-P energy: -83.692
tors. eta vs tors. theta energy: -135.591
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: 7
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1342.511311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.511311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.511311 (E_RNA)
where:
Base-Base interactions energy: -810.391
where: short stacking energy: -408.537
Base-Backbone interact. energy: 2.959
local terms energy: -535.078731
where:
bonds (distance) C4'-P energy: -128.657
bonds (distance) P-C4' energy: -134.948
flat angles C4'-P-C4' energy: -139.602
flat angles P-C4'-P energy: -62.063
tors. eta vs tors. theta energy: -69.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -1241.628885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.628885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.628885 (E_RNA)
where:
Base-Base interactions energy: -710.919
where: short stacking energy: -350.415
Base-Backbone interact. energy: 3.550
local terms energy: -534.260343
where:
bonds (distance) C4'-P energy: -116.935
bonds (distance) P-C4' energy: -139.853
flat angles C4'-P-C4' energy: -114.364
flat angles P-C4'-P energy: -87.206
tors. eta vs tors. theta energy: -75.903
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: 130
Temperature: 1.300000
Total energy: -830.361562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.361562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.361562 (E_RNA)
where:
Base-Base interactions energy: -394.260
where: short stacking energy: -228.850
Base-Backbone interact. energy: 6.381
local terms energy: -442.483291
where:
bonds (distance) C4'-P energy: -122.792
bonds (distance) P-C4' energy: -132.912
flat angles C4'-P-C4' energy: -114.080
flat angles P-C4'-P energy: -71.887
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -618.359120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.359120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.359120 (E_RNA)
where:
Base-Base interactions energy: -244.190
where: short stacking energy: -177.177
Base-Backbone interact. energy: -1.822
local terms energy: -372.346447
where:
bonds (distance) C4'-P energy: -112.031
bonds (distance) P-C4' energy: -123.455
flat angles C4'-P-C4' energy: -113.091
flat angles P-C4'-P energy: -36.486
tors. eta vs tors. theta energy: 12.716
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: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2589.062086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.062086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.062086 (E_RNA)
where:
Base-Base interactions energy: -1768.664
where: short stacking energy: -760.654
Base-Backbone interact. energy: -3.351
local terms energy: -817.047256
where:
bonds (distance) C4'-P energy: -142.290
bonds (distance) P-C4' energy: -152.149
flat angles C4'-P-C4' energy: -177.599
flat angles P-C4'-P energy: -109.176
tors. eta vs tors. theta energy: -235.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -2449.088905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.088905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.088905 (E_RNA)
where:
Base-Base interactions energy: -1658.935
where: short stacking energy: -682.025
Base-Backbone interact. energy: -4.426
local terms energy: -785.728241
where:
bonds (distance) C4'-P energy: -155.892
bonds (distance) P-C4' energy: -158.555
flat angles C4'-P-C4' energy: -167.449
flat angles P-C4'-P energy: -106.301
tors. eta vs tors. theta energy: -197.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -2168.171432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.171432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.171432 (E_RNA)
where:
Base-Base interactions energy: -1455.679
where: short stacking energy: -618.576
Base-Backbone interact. energy: -3.451
local terms energy: -709.041129
where:
bonds (distance) C4'-P energy: -139.438
bonds (distance) P-C4' energy: -133.634
flat angles C4'-P-C4' energy: -163.208
flat angles P-C4'-P energy: -103.212
tors. eta vs tors. theta energy: -169.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -2098.972047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.972047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.972047 (E_RNA)
where:
Base-Base interactions energy: -1394.312
where: short stacking energy: -618.593
Base-Backbone interact. energy: -4.791
local terms energy: -699.868792
where:
bonds (distance) C4'-P energy: -147.678
bonds (distance) P-C4' energy: -125.786
flat angles C4'-P-C4' energy: -152.066
flat angles P-C4'-P energy: -88.907
tors. eta vs tors. theta energy: -185.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -2041.396751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.396751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.396751 (E_RNA)
where:
Base-Base interactions energy: -1360.070
where: short stacking energy: -587.718
Base-Backbone interact. energy: -0.627
local terms energy: -680.699817
where:
bonds (distance) C4'-P energy: -122.954
bonds (distance) P-C4' energy: -135.234
flat angles C4'-P-C4' energy: -160.892
flat angles P-C4'-P energy: -99.111
tors. eta vs tors. theta energy: -162.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1781.019477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.019477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.019477 (E_RNA)
where:
Base-Base interactions energy: -1203.378
where: short stacking energy: -478.559
Base-Backbone interact. energy: -3.091
local terms energy: -574.550084
where:
bonds (distance) C4'-P energy: -117.891
bonds (distance) P-C4' energy: -133.389
flat angles C4'-P-C4' energy: -133.284
flat angles P-C4'-P energy: -77.539
tors. eta vs tors. theta energy: -112.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1330.758381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.758381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.758381 (E_RNA)
where:
Base-Base interactions energy: -807.049
where: short stacking energy: -392.443
Base-Backbone interact. energy: -1.206
local terms energy: -522.503156
where:
bonds (distance) C4'-P energy: -128.789
bonds (distance) P-C4' energy: -123.708
flat angles C4'-P-C4' energy: -134.354
flat angles P-C4'-P energy: -70.844
tors. eta vs tors. theta energy: -64.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1216.940102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.940102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.940102 (E_RNA)
where:
Base-Base interactions energy: -711.069
where: short stacking energy: -342.783
Base-Backbone interact. energy: -0.324
local terms energy: -505.547224
where:
bonds (distance) C4'-P energy: -110.702
bonds (distance) P-C4' energy: -144.517
flat angles C4'-P-C4' energy: -120.060
flat angles P-C4'-P energy: -73.601
tors. eta vs tors. theta energy: -56.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -775.747742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.747742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.747742 (E_RNA)
where:
Base-Base interactions energy: -354.214
where: short stacking energy: -200.173
Base-Backbone interact. energy: 1.766
local terms energy: -423.299369
where:
bonds (distance) C4'-P energy: -109.248
bonds (distance) P-C4' energy: -127.773
flat angles C4'-P-C4' energy: -121.471
flat angles P-C4'-P energy: -74.067
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: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -648.565042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.565042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.565042 (E_RNA)
where:
Base-Base interactions energy: -292.138
where: short stacking energy: -168.531
Base-Backbone interact. energy: 4.777
local terms energy: -361.203818
where:
bonds (distance) C4'-P energy: -119.347
bonds (distance) P-C4' energy: -131.409
flat angles C4'-P-C4' energy: -96.285
flat angles P-C4'-P energy: -49.264
tors. eta vs tors. theta energy: 35.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2588.610127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.610127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.610127 (E_RNA)
where:
Base-Base interactions energy: -1764.269
where: short stacking energy: -732.307
Base-Backbone interact. energy: -1.215
local terms energy: -823.126969
where:
bonds (distance) C4'-P energy: -158.049
bonds (distance) P-C4' energy: -158.420
flat angles C4'-P-C4' energy: -165.136
flat angles P-C4'-P energy: -119.239
tors. eta vs tors. theta energy: -222.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -2417.634152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.634152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.634152 (E_RNA)
where:
Base-Base interactions energy: -1639.026
where: short stacking energy: -651.638
Base-Backbone interact. energy: 1.497
local terms energy: -780.105781
where:
bonds (distance) C4'-P energy: -147.701
bonds (distance) P-C4' energy: -154.725
flat angles C4'-P-C4' energy: -164.938
flat angles P-C4'-P energy: -99.627
tors. eta vs tors. theta energy: -213.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -2196.475708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.475708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.475708 (E_RNA)
where:
Base-Base interactions energy: -1472.289
where: short stacking energy: -616.610
Base-Backbone interact. energy: 3.051
local terms energy: -727.237211
where:
bonds (distance) C4'-P energy: -144.477
bonds (distance) P-C4' energy: -142.316
flat angles C4'-P-C4' energy: -159.502
flat angles P-C4'-P energy: -109.199
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: 4, replica: 4
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -2145.397905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.397905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.397905 (E_RNA)
where:
Base-Base interactions energy: -1434.356
where: short stacking energy: -606.674
Base-Backbone interact. energy: -0.980
local terms energy: -710.061666
where:
bonds (distance) C4'-P energy: -126.195
bonds (distance) P-C4' energy: -154.216
flat angles C4'-P-C4' energy: -144.832
flat angles P-C4'-P energy: -104.202
tors. eta vs tors. theta energy: -180.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -2065.885611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.885611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.885611 (E_RNA)
where:
Base-Base interactions energy: -1367.830
where: short stacking energy: -589.378
Base-Backbone interact. energy: -3.896
local terms energy: -694.159255
where:
bonds (distance) C4'-P energy: -121.717
bonds (distance) P-C4' energy: -125.559
flat angles C4'-P-C4' energy: -161.033
flat angles P-C4'-P energy: -110.363
tors. eta vs tors. theta energy: -175.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1848.100303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.100303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.100303 (E_RNA)
where:
Base-Base interactions energy: -1231.023
where: short stacking energy: -470.440
Base-Backbone interact. energy: 4.127
local terms energy: -621.204042
where:
bonds (distance) C4'-P energy: -132.994
bonds (distance) P-C4' energy: -152.108
flat angles C4'-P-C4' energy: -145.933
flat angles P-C4'-P energy: -78.800
tors. eta vs tors. theta energy: -111.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1317.350598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.350598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.350598 (E_RNA)
where:
Base-Base interactions energy: -794.836
where: short stacking energy: -397.537
Base-Backbone interact. energy: -1.713
local terms energy: -520.800829
where:
bonds (distance) C4'-P energy: -123.572
bonds (distance) P-C4' energy: -130.406
flat angles C4'-P-C4' energy: -121.206
flat angles P-C4'-P energy: -69.875
tors. eta vs tors. theta energy: -75.741
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: 132
Temperature: 1.250000
Total energy: -1161.092718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.092718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.092718 (E_RNA)
where:
Base-Base interactions energy: -662.092
where: short stacking energy: -338.703
Base-Backbone interact. energy: -2.803
local terms energy: -496.198139
where:
bonds (distance) C4'-P energy: -122.437
bonds (distance) P-C4' energy: -137.826
flat angles C4'-P-C4' energy: -108.235
flat angles P-C4'-P energy: -86.119
tors. eta vs tors. theta energy: -41.582
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: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -736.739680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.739680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.739680 (E_RNA)
where:
Base-Base interactions energy: -320.257
where: short stacking energy: -203.287
Base-Backbone interact. energy: -1.723
local terms energy: -414.759298
where:
bonds (distance) C4'-P energy: -105.957
bonds (distance) P-C4' energy: -129.034
flat angles C4'-P-C4' energy: -113.299
flat angles P-C4'-P energy: -72.979
tors. eta vs tors. theta energy: 6.509
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: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -636.084586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.084586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.084586 (E_RNA)
where:
Base-Base interactions energy: -239.145
where: short stacking energy: -153.895
Base-Backbone interact. energy: -2.802
local terms energy: -394.137336
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -115.461
flat angles C4'-P-C4' energy: -133.095
flat angles P-C4'-P energy: -62.298
tors. eta vs tors. theta energy: 26.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2595.431579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.431579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.431579 (E_RNA)
where:
Base-Base interactions energy: -1786.562
where: short stacking energy: -747.876
Base-Backbone interact. energy: -1.593
local terms energy: -807.275632
where:
bonds (distance) C4'-P energy: -163.933
bonds (distance) P-C4' energy: -148.031
flat angles C4'-P-C4' energy: -170.549
flat angles P-C4'-P energy: -107.912
tors. eta vs tors. theta energy: -216.852
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: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -2403.539433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.539433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.539433 (E_RNA)
where:
Base-Base interactions energy: -1632.612
where: short stacking energy: -668.727
Base-Backbone interact. energy: -0.315
local terms energy: -770.611921
where:
bonds (distance) C4'-P energy: -145.855
bonds (distance) P-C4' energy: -147.407
flat angles C4'-P-C4' energy: -167.207
flat angles P-C4'-P energy: -111.588
tors. eta vs tors. theta energy: -198.554
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: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -2219.950961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.950961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.950961 (E_RNA)
where:
Base-Base interactions energy: -1469.067
where: short stacking energy: -644.027
Base-Backbone interact. energy: -3.754
local terms energy: -747.130606
where:
bonds (distance) C4'-P energy: -139.257
bonds (distance) P-C4' energy: -136.940
flat angles C4'-P-C4' energy: -167.042
flat angles P-C4'-P energy: -107.956
tors. eta vs tors. theta energy: -195.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -2179.043189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.043189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.043189 (E_RNA)
where:
Base-Base interactions energy: -1439.601
where: short stacking energy: -622.873
Base-Backbone interact. energy: -0.345
local terms energy: -739.097419
where:
bonds (distance) C4'-P energy: -151.458
bonds (distance) P-C4' energy: -146.461
flat angles C4'-P-C4' energy: -158.341
flat angles P-C4'-P energy: -102.449
tors. eta vs tors. theta energy: -180.389
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: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -2055.878264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.878264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.878264 (E_RNA)
where:
Base-Base interactions energy: -1375.978
where: short stacking energy: -581.450
Base-Backbone interact. energy: -0.599
local terms energy: -679.301510
where:
bonds (distance) C4'-P energy: -117.654
bonds (distance) P-C4' energy: -146.791
flat angles C4'-P-C4' energy: -151.583
flat angles P-C4'-P energy: -92.473
tors. eta vs tors. theta energy: -170.801
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: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1816.341336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.341336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.341336 (E_RNA)
where:
Base-Base interactions energy: -1188.142
where: short stacking energy: -472.587
Base-Backbone interact. energy: -4.934
local terms energy: -623.264834
where:
bonds (distance) C4'-P energy: -137.992
bonds (distance) P-C4' energy: -142.087
flat angles C4'-P-C4' energy: -148.502
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -117.076
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: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1259.522947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.522947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.522947 (E_RNA)
where:
Base-Base interactions energy: -733.991
where: short stacking energy: -365.868
Base-Backbone interact. energy: -3.442
local terms energy: -522.090101
where:
bonds (distance) C4'-P energy: -120.413
bonds (distance) P-C4' energy: -139.026
flat angles C4'-P-C4' energy: -123.196
flat angles P-C4'-P energy: -89.174
tors. eta vs tors. theta energy: -50.281
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: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1082.728224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.728224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.728224 (E_RNA)
where:
Base-Base interactions energy: -623.261
where: short stacking energy: -314.084
Base-Backbone interact. energy: -2.368
local terms energy: -457.098798
where:
bonds (distance) C4'-P energy: -90.053
bonds (distance) P-C4' energy: -131.556
flat angles C4'-P-C4' energy: -124.959
flat angles P-C4'-P energy: -81.662
tors. eta vs tors. theta energy: -28.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -732.576091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.576091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.576091 (E_RNA)
where:
Base-Base interactions energy: -329.920
where: short stacking energy: -208.310
Base-Backbone interact. energy: 4.038
local terms energy: -406.694239
where:
bonds (distance) C4'-P energy: -130.187
bonds (distance) P-C4' energy: -107.564
flat angles C4'-P-C4' energy: -107.671
flat angles P-C4'-P energy: -60.197
tors. eta vs tors. theta energy: -1.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -635.510113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.510113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.510113 (E_RNA)
where:
Base-Base interactions energy: -267.414
where: short stacking energy: -162.859
Base-Backbone interact. energy: -0.046
local terms energy: -368.050242
where:
bonds (distance) C4'-P energy: -126.036
bonds (distance) P-C4' energy: -109.775
flat angles C4'-P-C4' energy: -102.426
flat angles P-C4'-P energy: -59.230
tors. eta vs tors. theta energy: 29.416
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: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2582.230855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.230855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.230855 (E_RNA)
where:
Base-Base interactions energy: -1782.494
where: short stacking energy: -750.289
Base-Backbone interact. energy: -3.759
local terms energy: -795.977399
where:
bonds (distance) C4'-P energy: -162.064
bonds (distance) P-C4' energy: -138.832
flat angles C4'-P-C4' energy: -166.427
flat angles P-C4'-P energy: -114.658
tors. eta vs tors. theta energy: -213.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -2399.131392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.131392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.131392 (E_RNA)
where:
Base-Base interactions energy: -1622.363
where: short stacking energy: -689.918
Base-Backbone interact. energy: -1.505
local terms energy: -775.264150
where:
bonds (distance) C4'-P energy: -141.271
bonds (distance) P-C4' energy: -138.996
flat angles C4'-P-C4' energy: -166.324
flat angles P-C4'-P energy: -115.470
tors. eta vs tors. theta energy: -213.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -2280.388406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.388406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.388406 (E_RNA)
where:
Base-Base interactions energy: -1550.325
where: short stacking energy: -699.918
Base-Backbone interact. energy: -6.539
local terms energy: -723.524206
where:
bonds (distance) C4'-P energy: -127.161
bonds (distance) P-C4' energy: -156.860
flat angles C4'-P-C4' energy: -141.509
flat angles P-C4'-P energy: -100.965
tors. eta vs tors. theta energy: -197.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -2126.120040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.120040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.120040 (E_RNA)
where:
Base-Base interactions energy: -1404.039
where: short stacking energy: -587.312
Base-Backbone interact. energy: 1.086
local terms energy: -723.166770
where:
bonds (distance) C4'-P energy: -142.658
bonds (distance) P-C4' energy: -141.066
flat angles C4'-P-C4' energy: -164.993
flat angles P-C4'-P energy: -96.861
tors. eta vs tors. theta energy: -177.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -2133.217757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2133.217757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2133.217757 (E_RNA)
where:
Base-Base interactions energy: -1430.255
where: short stacking energy: -621.873
Base-Backbone interact. energy: -0.236
local terms energy: -702.726341
where:
bonds (distance) C4'-P energy: -123.111
bonds (distance) P-C4' energy: -158.320
flat angles C4'-P-C4' energy: -152.538
flat angles P-C4'-P energy: -89.674
tors. eta vs tors. theta energy: -179.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1798.840156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.840156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.840156 (E_RNA)
where:
Base-Base interactions energy: -1184.792
where: short stacking energy: -504.411
Base-Backbone interact. energy: 0.367
local terms energy: -614.415214
where:
bonds (distance) C4'-P energy: -117.130
bonds (distance) P-C4' energy: -140.299
flat angles C4'-P-C4' energy: -132.623
flat angles P-C4'-P energy: -93.961
tors. eta vs tors. theta energy: -130.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1330.898496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.898496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.898496 (E_RNA)
where:
Base-Base interactions energy: -789.364
where: short stacking energy: -402.413
Base-Backbone interact. energy: 0.385
local terms energy: -541.918836
where:
bonds (distance) C4'-P energy: -114.261
bonds (distance) P-C4' energy: -144.635
flat angles C4'-P-C4' energy: -124.373
flat angles P-C4'-P energy: -90.901
tors. eta vs tors. theta energy: -67.749
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: 134
Temperature: 1.250000
Total energy: -1141.369470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.369470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.369470 (E_RNA)
where:
Base-Base interactions energy: -690.265
where: short stacking energy: -342.766
Base-Backbone interact. energy: 0.769
local terms energy: -451.873725
where:
bonds (distance) C4'-P energy: -117.490
bonds (distance) P-C4' energy: -116.293
flat angles C4'-P-C4' energy: -116.945
flat angles P-C4'-P energy: -50.593
tors. eta vs tors. theta energy: -50.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -742.442533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.442533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.442533 (E_RNA)
where:
Base-Base interactions energy: -332.222
where: short stacking energy: -204.707
Base-Backbone interact. energy: 3.749
local terms energy: -413.969650
where:
bonds (distance) C4'-P energy: -131.330
bonds (distance) P-C4' energy: -136.483
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -55.250
tors. eta vs tors. theta energy: 21.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -680.603652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.603652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.603652 (E_RNA)
where:
Base-Base interactions energy: -297.129
where: short stacking energy: -169.261
Base-Backbone interact. energy: -1.151
local terms energy: -382.323813
where:
bonds (distance) C4'-P energy: -105.128
bonds (distance) P-C4' energy: -115.784
flat angles C4'-P-C4' energy: -124.019
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: 25.528
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: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2584.266406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.266406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.266406 (E_RNA)
where:
Base-Base interactions energy: -1796.709
where: short stacking energy: -745.711
Base-Backbone interact. energy: -0.418
local terms energy: -787.139343
where:
bonds (distance) C4'-P energy: -159.581
bonds (distance) P-C4' energy: -143.444
flat angles C4'-P-C4' energy: -164.545
flat angles P-C4'-P energy: -93.795
tors. eta vs tors. theta energy: -225.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -2394.049675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.049675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.049675 (E_RNA)
where:
Base-Base interactions energy: -1611.541
where: short stacking energy: -680.196
Base-Backbone interact. energy: -6.608
local terms energy: -775.901319
where:
bonds (distance) C4'-P energy: -144.865
bonds (distance) P-C4' energy: -154.951
flat angles C4'-P-C4' energy: -163.799
flat angles P-C4'-P energy: -101.314
tors. eta vs tors. theta energy: -210.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -2302.221230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.221230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.221230 (E_RNA)
where:
Base-Base interactions energy: -1568.386
where: short stacking energy: -681.307
Base-Backbone interact. energy: -1.751
local terms energy: -732.083966
where:
bonds (distance) C4'-P energy: -135.224
bonds (distance) P-C4' energy: -140.557
flat angles C4'-P-C4' energy: -155.563
flat angles P-C4'-P energy: -100.731
tors. eta vs tors. theta energy: -200.009
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: 8
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -2116.796002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.796002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.796002 (E_RNA)
where:
Base-Base interactions energy: -1411.145
where: short stacking energy: -593.895
Base-Backbone interact. energy: -0.899
local terms energy: -704.752467
where:
bonds (distance) C4'-P energy: -140.204
bonds (distance) P-C4' energy: -129.776
flat angles C4'-P-C4' energy: -163.569
flat angles P-C4'-P energy: -101.134
tors. eta vs tors. theta energy: -170.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -2057.876182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.876182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.876182 (E_RNA)
where:
Base-Base interactions energy: -1380.052
where: short stacking energy: -592.838
Base-Backbone interact. energy: -0.064
local terms energy: -677.760685
where:
bonds (distance) C4'-P energy: -142.459
bonds (distance) P-C4' energy: -127.522
flat angles C4'-P-C4' energy: -140.769
flat angles P-C4'-P energy: -97.059
tors. eta vs tors. theta energy: -169.951
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: 5
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1883.697394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.697394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.697394 (E_RNA)
where:
Base-Base interactions energy: -1260.569
where: short stacking energy: -499.813
Base-Backbone interact. energy: -5.424
local terms energy: -617.704235
where:
bonds (distance) C4'-P energy: -124.078
bonds (distance) P-C4' energy: -147.242
flat angles C4'-P-C4' energy: -156.935
flat angles P-C4'-P energy: -69.731
tors. eta vs tors. theta energy: -119.719
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: 7
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1361.817257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.817257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.817257 (E_RNA)
where:
Base-Base interactions energy: -840.066
where: short stacking energy: -413.933
Base-Backbone interact. energy: 8.089
local terms energy: -529.840874
where:
bonds (distance) C4'-P energy: -121.371
bonds (distance) P-C4' energy: -135.097
flat angles C4'-P-C4' energy: -112.626
flat angles P-C4'-P energy: -88.222
tors. eta vs tors. theta energy: -72.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1161.917597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.917597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.917597 (E_RNA)
where:
Base-Base interactions energy: -695.005
where: short stacking energy: -328.080
Base-Backbone interact. energy: 0.080
local terms energy: -466.992830
where:
bonds (distance) C4'-P energy: -114.218
bonds (distance) P-C4' energy: -121.102
flat angles C4'-P-C4' energy: -129.404
flat angles P-C4'-P energy: -63.926
tors. eta vs tors. theta energy: -38.343
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: 135
Temperature: 1.300000
Total energy: -762.772945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.772945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.772945 (E_RNA)
where:
Base-Base interactions energy: -358.212
where: short stacking energy: -195.403
Base-Backbone interact. energy: 1.019
local terms energy: -405.580550
where:
bonds (distance) C4'-P energy: -122.553
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -86.002
flat angles P-C4'-P energy: -77.673
tors. eta vs tors. theta energy: 24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -627.089325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.089325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.089325 (E_RNA)
where:
Base-Base interactions energy: -249.480
where: short stacking energy: -154.594
Base-Backbone interact. energy: -0.244
local terms energy: -377.365221
where:
bonds (distance) C4'-P energy: -130.234
bonds (distance) P-C4' energy: -114.046
flat angles C4'-P-C4' energy: -100.577
flat angles P-C4'-P energy: -29.147
tors. eta vs tors. theta energy: -3.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2452.719258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.719258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.719258 (E_RNA)
where:
Base-Base interactions energy: -1645.810
where: short stacking energy: -668.958
Base-Backbone interact. energy: 2.556
local terms energy: -809.465213
where:
bonds (distance) C4'-P energy: -156.580
bonds (distance) P-C4' energy: -167.458
flat angles C4'-P-C4' energy: -170.721
flat angles P-C4'-P energy: -116.385
tors. eta vs tors. theta energy: -198.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -2558.056160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.056160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.056160 (E_RNA)
where:
Base-Base interactions energy: -1750.600
where: short stacking energy: -718.495
Base-Backbone interact. energy: -4.009
local terms energy: -803.446260
where:
bonds (distance) C4'-P energy: -159.687
bonds (distance) P-C4' energy: -147.151
flat angles C4'-P-C4' energy: -167.125
flat angles P-C4'-P energy: -105.091
tors. eta vs tors. theta energy: -224.392
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -2312.019410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.019410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.019410 (E_RNA)
where:
Base-Base interactions energy: -1542.328
where: short stacking energy: -703.914
Base-Backbone interact. energy: -1.285
local terms energy: -768.406093
where:
bonds (distance) C4'-P energy: -152.423
bonds (distance) P-C4' energy: -147.887
flat angles C4'-P-C4' energy: -159.666
flat angles P-C4'-P energy: -101.306
tors. eta vs tors. theta energy: -207.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -2179.333636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2179.333636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2179.333636 (E_RNA)
where:
Base-Base interactions energy: -1443.637
where: short stacking energy: -636.457
Base-Backbone interact. energy: 4.329
local terms energy: -740.025503
where:
bonds (distance) C4'-P energy: -141.473
bonds (distance) P-C4' energy: -135.385
flat angles C4'-P-C4' energy: -157.735
flat angles P-C4'-P energy: -105.391
tors. eta vs tors. theta energy: -200.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -2037.080672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.080672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.080672 (E_RNA)
where:
Base-Base interactions energy: -1362.381
where: short stacking energy: -598.628
Base-Backbone interact. energy: 1.645
local terms energy: -676.345173
where:
bonds (distance) C4'-P energy: -136.662
bonds (distance) P-C4' energy: -123.723
flat angles C4'-P-C4' energy: -158.403
flat angles P-C4'-P energy: -94.996
tors. eta vs tors. theta energy: -162.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1843.908469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.908469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.908469 (E_RNA)
where:
Base-Base interactions energy: -1238.089
where: short stacking energy: -497.506
Base-Backbone interact. energy: -2.205
local terms energy: -603.614598
where:
bonds (distance) C4'-P energy: -121.292
bonds (distance) P-C4' energy: -127.624
flat angles C4'-P-C4' energy: -134.717
flat angles P-C4'-P energy: -82.107
tors. eta vs tors. theta energy: -137.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1375.605825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.605825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.605825 (E_RNA)
where:
Base-Base interactions energy: -820.585
where: short stacking energy: -388.728
Base-Backbone interact. energy: -1.472
local terms energy: -553.548850
where:
bonds (distance) C4'-P energy: -131.855
bonds (distance) P-C4' energy: -123.648
flat angles C4'-P-C4' energy: -149.798
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -84.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1290.633238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.633238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.633238 (E_RNA)
where:
Base-Base interactions energy: -800.898
where: short stacking energy: -383.120
Base-Backbone interact. energy: -0.086
local terms energy: -489.648892
where:
bonds (distance) C4'-P energy: -112.187
bonds (distance) P-C4' energy: -123.147
flat angles C4'-P-C4' energy: -116.675
flat angles P-C4'-P energy: -81.513
tors. eta vs tors. theta energy: -56.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -738.483054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.483054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.483054 (E_RNA)
where:
Base-Base interactions energy: -345.449
where: short stacking energy: -203.176
Base-Backbone interact. energy: 1.291
local terms energy: -394.325155
where:
bonds (distance) C4'-P energy: -101.062
bonds (distance) P-C4' energy: -142.266
flat angles C4'-P-C4' energy: -112.528
flat angles P-C4'-P energy: -53.520
tors. eta vs tors. theta energy: 15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -668.574837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.574837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.574837 (E_RNA)
where:
Base-Base interactions energy: -317.593
where: short stacking energy: -189.243
Base-Backbone interact. energy: 0.002
local terms energy: -350.984360
where:
bonds (distance) C4'-P energy: -119.847
bonds (distance) P-C4' energy: -122.090
flat angles C4'-P-C4' energy: -89.212
flat angles P-C4'-P energy: -53.496
tors. eta vs tors. theta energy: 33.661
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: 3
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2489.911263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.911263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.911263 (E_RNA)
where:
Base-Base interactions energy: -1710.351
where: short stacking energy: -717.091
Base-Backbone interact. energy: -1.098
local terms energy: -778.462016
where:
bonds (distance) C4'-P energy: -146.920
bonds (distance) P-C4' energy: -149.867
flat angles C4'-P-C4' energy: -174.819
flat angles P-C4'-P energy: -101.221
tors. eta vs tors. theta energy: -205.636
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: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -2569.643779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.643779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.643779 (E_RNA)
where:
Base-Base interactions energy: -1778.105
where: short stacking energy: -751.907
Base-Backbone interact. energy: -0.593
local terms energy: -790.946179
where:
bonds (distance) C4'-P energy: -154.319
bonds (distance) P-C4' energy: -147.183
flat angles C4'-P-C4' energy: -154.100
flat angles P-C4'-P energy: -114.884
tors. eta vs tors. theta energy: -220.461
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: 3, replica: 4
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -2313.886126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.886126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.886126 (E_RNA)
where:
Base-Base interactions energy: -1537.632
where: short stacking energy: -667.641
Base-Backbone interact. energy: -3.525
local terms energy: -772.728764
where:
bonds (distance) C4'-P energy: -138.999
bonds (distance) P-C4' energy: -152.550
flat angles C4'-P-C4' energy: -172.225
flat angles P-C4'-P energy: -111.640
tors. eta vs tors. theta energy: -197.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -2164.195719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.195719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.195719 (E_RNA)
where:
Base-Base interactions energy: -1427.925
where: short stacking energy: -624.237
Base-Backbone interact. energy: -2.087
local terms energy: -734.183222
where:
bonds (distance) C4'-P energy: -151.313
bonds (distance) P-C4' energy: -133.774
flat angles C4'-P-C4' energy: -166.343
flat angles P-C4'-P energy: -101.489
tors. eta vs tors. theta energy: -181.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1979.544915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.544915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.544915 (E_RNA)
where:
Base-Base interactions energy: -1301.870
where: short stacking energy: -574.316
Base-Backbone interact. energy: -1.690
local terms energy: -675.984972
where:
bonds (distance) C4'-P energy: -133.227
bonds (distance) P-C4' energy: -131.375
flat angles C4'-P-C4' energy: -157.076
flat angles P-C4'-P energy: -89.653
tors. eta vs tors. theta energy: -164.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1930.556986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.556986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.556986 (E_RNA)
where:
Base-Base interactions energy: -1325.126
where: short stacking energy: -548.581
Base-Backbone interact. energy: -0.243
local terms energy: -605.188246
where:
bonds (distance) C4'-P energy: -124.670
bonds (distance) P-C4' energy: -132.388
flat angles C4'-P-C4' energy: -135.095
flat angles P-C4'-P energy: -70.600
tors. eta vs tors. theta energy: -142.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1420.689117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.689117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.689117 (E_RNA)
where:
Base-Base interactions energy: -878.544
where: short stacking energy: -424.432
Base-Backbone interact. energy: -2.160
local terms energy: -539.985139
where:
bonds (distance) C4'-P energy: -126.778
bonds (distance) P-C4' energy: -130.609
flat angles C4'-P-C4' energy: -133.755
flat angles P-C4'-P energy: -63.085
tors. eta vs tors. theta energy: -85.758
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: 137
Temperature: 1.250000
Total energy: -1271.709614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.709614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.709614 (E_RNA)
where:
Base-Base interactions energy: -766.799
where: short stacking energy: -323.746
Base-Backbone interact. energy: 6.517
local terms energy: -511.428061
where:
bonds (distance) C4'-P energy: -126.956
bonds (distance) P-C4' energy: -146.102
flat angles C4'-P-C4' energy: -117.824
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -45.400
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: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -755.469343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.469343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.469343 (E_RNA)
where:
Base-Base interactions energy: -366.660
where: short stacking energy: -244.119
Base-Backbone interact. energy: -1.955
local terms energy: -386.854031
where:
bonds (distance) C4'-P energy: -114.679
bonds (distance) P-C4' energy: -110.297
flat angles C4'-P-C4' energy: -115.861
flat angles P-C4'-P energy: -44.085
tors. eta vs tors. theta energy: -1.932
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: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -624.071788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.071788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.071788 (E_RNA)
where:
Base-Base interactions energy: -219.433
where: short stacking energy: -149.334
Base-Backbone interact. energy: 3.566
local terms energy: -408.204290
where:
bonds (distance) C4'-P energy: -121.406
bonds (distance) P-C4' energy: -142.458
flat angles C4'-P-C4' energy: -111.434
flat angles P-C4'-P energy: -58.814
tors. eta vs tors. theta energy: 25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -2637.396531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2637.396531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2637.396531 (E_RNA)
where:
Base-Base interactions energy: -1796.625
where: short stacking energy: -784.479
Base-Backbone interact. energy: 0.557
local terms energy: -841.329117
where:
bonds (distance) C4'-P energy: -147.946
bonds (distance) P-C4' energy: -153.844
flat angles C4'-P-C4' energy: -176.166
flat angles P-C4'-P energy: -119.021
tors. eta vs tors. theta energy: -244.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -2430.769575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.769575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.769575 (E_RNA)
where:
Base-Base interactions energy: -1640.803
where: short stacking energy: -662.217
Base-Backbone interact. energy: -2.529
local terms energy: -787.438045
where:
bonds (distance) C4'-P energy: -152.260
bonds (distance) P-C4' energy: -176.926
flat angles C4'-P-C4' energy: -161.431
flat angles P-C4'-P energy: -102.800
tors. eta vs tors. theta energy: -194.021
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: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -2325.735042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.735042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.735042 (E_RNA)
where:
Base-Base interactions energy: -1556.946
where: short stacking energy: -697.592
Base-Backbone interact. energy: -1.692
local terms energy: -767.096541
where:
bonds (distance) C4'-P energy: -135.087
bonds (distance) P-C4' energy: -143.959
flat angles C4'-P-C4' energy: -166.627
flat angles P-C4'-P energy: -107.666
tors. eta vs tors. theta energy: -213.758
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: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -2175.088013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2175.088013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2175.088013 (E_RNA)
where:
Base-Base interactions energy: -1448.967
where: short stacking energy: -632.800
Base-Backbone interact. energy: -2.842
local terms energy: -723.279102
where:
bonds (distance) C4'-P energy: -136.848
bonds (distance) P-C4' energy: -143.248
flat angles C4'-P-C4' energy: -158.582
flat angles P-C4'-P energy: -93.782
tors. eta vs tors. theta energy: -190.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1932.212498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.212498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.212498 (E_RNA)
where:
Base-Base interactions energy: -1284.213
where: short stacking energy: -576.110
Base-Backbone interact. energy: -1.558
local terms energy: -646.441779
where:
bonds (distance) C4'-P energy: -122.212
bonds (distance) P-C4' energy: -142.640
flat angles C4'-P-C4' energy: -137.024
flat angles P-C4'-P energy: -79.693
tors. eta vs tors. theta energy: -164.873
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: 5
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1878.357510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.357510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.357510 (E_RNA)
where:
Base-Base interactions energy: -1278.902
where: short stacking energy: -547.343
Base-Backbone interact. energy: 1.204
local terms energy: -600.660187
where:
bonds (distance) C4'-P energy: -115.933
bonds (distance) P-C4' energy: -133.870
flat angles C4'-P-C4' energy: -140.753
flat angles P-C4'-P energy: -81.896
tors. eta vs tors. theta energy: -128.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1506.912601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.912601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.912601 (E_RNA)
where:
Base-Base interactions energy: -942.213
where: short stacking energy: -457.846
Base-Backbone interact. energy: 0.639
local terms energy: -565.338668
where:
bonds (distance) C4'-P energy: -123.840
bonds (distance) P-C4' energy: -129.272
flat angles C4'-P-C4' energy: -130.445
flat angles P-C4'-P energy: -80.467
tors. eta vs tors. theta energy: -101.314
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: 10
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1163.648419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.648419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.648419 (E_RNA)
where:
Base-Base interactions energy: -680.480
where: short stacking energy: -313.297
Base-Backbone interact. energy: -4.744
local terms energy: -478.424648
where:
bonds (distance) C4'-P energy: -108.994
bonds (distance) P-C4' energy: -116.393
flat angles C4'-P-C4' energy: -123.899
flat angles P-C4'-P energy: -93.944
tors. eta vs tors. theta energy: -35.194
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: 9, replica: 6
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -753.382545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.382545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.382545 (E_RNA)
where:
Base-Base interactions energy: -346.683
where: short stacking energy: -200.312
Base-Backbone interact. energy: -2.658
local terms energy: -404.042118
where:
bonds (distance) C4'-P energy: -113.827
bonds (distance) P-C4' energy: -146.462
flat angles C4'-P-C4' energy: -104.076
flat angles P-C4'-P energy: -63.025
tors. eta vs tors. theta energy: 23.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -633.265299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.265299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.265299 (E_RNA)
where:
Base-Base interactions energy: -250.082
where: short stacking energy: -177.200
Base-Backbone interact. energy: -0.817
local terms energy: -382.366322
where:
bonds (distance) C4'-P energy: -130.852
bonds (distance) P-C4' energy: -117.145
flat angles C4'-P-C4' energy: -112.168
flat angles P-C4'-P energy: -59.202
tors. eta vs tors. theta energy: 37.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2595.462501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.462501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.462501 (E_RNA)
where:
Base-Base interactions energy: -1763.470
where: short stacking energy: -726.270
Base-Backbone interact. energy: -3.333
local terms energy: -828.659728
where:
bonds (distance) C4'-P energy: -159.205
bonds (distance) P-C4' energy: -138.259
flat angles C4'-P-C4' energy: -177.745
flat angles P-C4'-P energy: -135.540
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: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -2425.768879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.768879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.768879 (E_RNA)
where:
Base-Base interactions energy: -1652.078
where: short stacking energy: -656.219
Base-Backbone interact. energy: -3.351
local terms energy: -770.339942
where:
bonds (distance) C4'-P energy: -144.559
bonds (distance) P-C4' energy: -149.216
flat angles C4'-P-C4' energy: -162.180
flat angles P-C4'-P energy: -116.142
tors. eta vs tors. theta energy: -198.243
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: 3, replica: 4
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -2303.814863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.814863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.814863 (E_RNA)
where:
Base-Base interactions energy: -1554.336
where: short stacking energy: -676.087
Base-Backbone interact. energy: 2.522
local terms energy: -752.000292
where:
bonds (distance) C4'-P energy: -139.563
bonds (distance) P-C4' energy: -138.207
flat angles C4'-P-C4' energy: -163.804
flat angles P-C4'-P energy: -109.866
tors. eta vs tors. theta energy: -200.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -2203.517816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.517816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.517816 (E_RNA)
where:
Base-Base interactions energy: -1469.820
where: short stacking energy: -661.665
Base-Backbone interact. energy: -0.834
local terms energy: -732.864085
where:
bonds (distance) C4'-P energy: -139.724
bonds (distance) P-C4' energy: -132.144
flat angles C4'-P-C4' energy: -157.267
flat angles P-C4'-P energy: -111.848
tors. eta vs tors. theta energy: -191.881
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: 9
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1956.030522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.030522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.030522 (E_RNA)
where:
Base-Base interactions energy: -1320.816
where: short stacking energy: -556.547
Base-Backbone interact. energy: 0.085
local terms energy: -635.299834
where:
bonds (distance) C4'-P energy: -123.698
bonds (distance) P-C4' energy: -147.704
flat angles C4'-P-C4' energy: -132.847
flat angles P-C4'-P energy: -77.685
tors. eta vs tors. theta energy: -153.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1859.309773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.309773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.309773 (E_RNA)
where:
Base-Base interactions energy: -1211.719
where: short stacking energy: -497.374
Base-Backbone interact. energy: -3.002
local terms energy: -644.588966
where:
bonds (distance) C4'-P energy: -129.485
bonds (distance) P-C4' energy: -136.696
flat angles C4'-P-C4' energy: -147.187
flat angles P-C4'-P energy: -104.663
tors. eta vs tors. theta energy: -126.559
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: 7
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1439.813153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.813153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.813153 (E_RNA)
where:
Base-Base interactions energy: -897.115
where: short stacking energy: -392.424
Base-Backbone interact. energy: 3.454
local terms energy: -546.152257
where:
bonds (distance) C4'-P energy: -126.534
bonds (distance) P-C4' energy: -134.845
flat angles C4'-P-C4' energy: -133.503
flat angles P-C4'-P energy: -77.837
tors. eta vs tors. theta energy: -73.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1204.489080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.489080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.489080 (E_RNA)
where:
Base-Base interactions energy: -719.152
where: short stacking energy: -331.954
Base-Backbone interact. energy: 5.196
local terms energy: -490.532274
where:
bonds (distance) C4'-P energy: -109.616
bonds (distance) P-C4' energy: -133.776
flat angles C4'-P-C4' energy: -127.388
flat angles P-C4'-P energy: -71.803
tors. eta vs tors. theta energy: -47.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -804.071777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.071777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.071777 (E_RNA)
where:
Base-Base interactions energy: -349.266
where: short stacking energy: -220.217
Base-Backbone interact. energy: 2.251
local terms energy: -457.056136
where:
bonds (distance) C4'-P energy: -135.906
bonds (distance) P-C4' energy: -134.998
flat angles C4'-P-C4' energy: -123.978
flat angles P-C4'-P energy: -79.395
tors. eta vs tors. theta energy: 17.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -620.762847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.762847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.762847 (E_RNA)
where:
Base-Base interactions energy: -230.790
where: short stacking energy: -150.796
Base-Backbone interact. energy: -2.252
local terms energy: -387.720664
where:
bonds (distance) C4'-P energy: -119.234
bonds (distance) P-C4' energy: -136.470
flat angles C4'-P-C4' energy: -101.796
flat angles P-C4'-P energy: -55.062
tors. eta vs tors. theta energy: 24.841
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: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2650.870478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.870478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.870478 (E_RNA)
where:
Base-Base interactions energy: -1812.077
where: short stacking energy: -753.544
Base-Backbone interact. energy: -2.916
local terms energy: -835.877745
where:
bonds (distance) C4'-P energy: -161.758
bonds (distance) P-C4' energy: -144.425
flat angles C4'-P-C4' energy: -182.317
flat angles P-C4'-P energy: -116.064
tors. eta vs tors. theta energy: -231.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -2429.215698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.215698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.215698 (E_RNA)
where:
Base-Base interactions energy: -1680.215
where: short stacking energy: -679.628
Base-Backbone interact. energy: -2.690
local terms energy: -746.310961
where:
bonds (distance) C4'-P energy: -152.311
bonds (distance) P-C4' energy: -138.871
flat angles C4'-P-C4' energy: -150.102
flat angles P-C4'-P energy: -108.059
tors. eta vs tors. theta energy: -196.968
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: 4
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -2311.068848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.068848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.068848 (E_RNA)
where:
Base-Base interactions energy: -1569.699
where: short stacking energy: -673.784
Base-Backbone interact. energy: -0.552
local terms energy: -740.817885
where:
bonds (distance) C4'-P energy: -132.982
bonds (distance) P-C4' energy: -152.141
flat angles C4'-P-C4' energy: -150.944
flat angles P-C4'-P energy: -100.626
tors. eta vs tors. theta energy: -204.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -2158.787116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.787116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.787116 (E_RNA)
where:
Base-Base interactions energy: -1435.321
where: short stacking energy: -632.203
Base-Backbone interact. energy: -0.688
local terms energy: -722.777385
where:
bonds (distance) C4'-P energy: -140.646
bonds (distance) P-C4' energy: -141.332
flat angles C4'-P-C4' energy: -161.014
flat angles P-C4'-P energy: -96.175
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -2008.311731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.311731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.311731 (E_RNA)
where:
Base-Base interactions energy: -1333.553
where: short stacking energy: -591.873
Base-Backbone interact. energy: -1.045
local terms energy: -673.713625
where:
bonds (distance) C4'-P energy: -131.810
bonds (distance) P-C4' energy: -142.063
flat angles C4'-P-C4' energy: -152.984
flat angles P-C4'-P energy: -89.223
tors. eta vs tors. theta energy: -157.634
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: 5
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1794.049163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.049163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.049163 (E_RNA)
where:
Base-Base interactions energy: -1226.485
where: short stacking energy: -488.667
Base-Backbone interact. energy: -0.182
local terms energy: -567.382359
where:
bonds (distance) C4'-P energy: -135.066
bonds (distance) P-C4' energy: -115.785
flat angles C4'-P-C4' energy: -126.716
flat angles P-C4'-P energy: -79.147
tors. eta vs tors. theta energy: -110.670
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: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1355.471507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.471507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.471507 (E_RNA)
where:
Base-Base interactions energy: -797.350
where: short stacking energy: -394.333
Base-Backbone interact. energy: 4.528
local terms energy: -562.649870
where:
bonds (distance) C4'-P energy: -133.345
bonds (distance) P-C4' energy: -137.200
flat angles C4'-P-C4' energy: -126.749
flat angles P-C4'-P energy: -86.903
tors. eta vs tors. theta energy: -78.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1292.894582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.894582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.894582 (E_RNA)
where:
Base-Base interactions energy: -771.373
where: short stacking energy: -375.235
Base-Backbone interact. energy: -1.632
local terms energy: -519.889592
where:
bonds (distance) C4'-P energy: -126.561
bonds (distance) P-C4' energy: -124.477
flat angles C4'-P-C4' energy: -119.152
flat angles P-C4'-P energy: -66.045
tors. eta vs tors. theta energy: -83.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -816.785797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.785797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.785797 (E_RNA)
where:
Base-Base interactions energy: -400.003
where: short stacking energy: -244.325
Base-Backbone interact. energy: 4.866
local terms energy: -421.648348
where:
bonds (distance) C4'-P energy: -118.421
bonds (distance) P-C4' energy: -110.536
flat angles C4'-P-C4' energy: -119.214
flat angles P-C4'-P energy: -61.907
tors. eta vs tors. theta energy: -11.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -643.717478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.717478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.717478 (E_RNA)
where:
Base-Base interactions energy: -240.524
where: short stacking energy: -174.258
Base-Backbone interact. energy: -1.137
local terms energy: -402.056123
where:
bonds (distance) C4'-P energy: -121.165
bonds (distance) P-C4' energy: -136.563
flat angles C4'-P-C4' energy: -108.931
flat angles P-C4'-P energy: -49.349
tors. eta vs tors. theta energy: 13.951
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: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2647.430365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.430365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.430365 (E_RNA)
where:
Base-Base interactions energy: -1830.169
where: short stacking energy: -769.386
Base-Backbone interact. energy: -3.865
local terms energy: -813.396367
where:
bonds (distance) C4'-P energy: -140.886
bonds (distance) P-C4' energy: -145.993
flat angles C4'-P-C4' energy: -176.890
flat angles P-C4'-P energy: -116.199
tors. eta vs tors. theta energy: -233.427
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: 3
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -2412.235984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.235984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.235984 (E_RNA)
where:
Base-Base interactions energy: -1648.475
where: short stacking energy: -648.205
Base-Backbone interact. energy: 1.293
local terms energy: -765.053462
where:
bonds (distance) C4'-P energy: -148.292
bonds (distance) P-C4' energy: -162.830
flat angles C4'-P-C4' energy: -167.161
flat angles P-C4'-P energy: -105.029
tors. eta vs tors. theta energy: -181.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -2287.583672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.583672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.583672 (E_RNA)
where:
Base-Base interactions energy: -1554.360
where: short stacking energy: -701.387
Base-Backbone interact. energy: -1.937
local terms energy: -731.286145
where:
bonds (distance) C4'-P energy: -134.928
bonds (distance) P-C4' energy: -140.768
flat angles C4'-P-C4' energy: -147.704
flat angles P-C4'-P energy: -93.216
tors. eta vs tors. theta energy: -214.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -2192.701250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2192.701250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2192.701250 (E_RNA)
where:
Base-Base interactions energy: -1474.451
where: short stacking energy: -612.921
Base-Backbone interact. energy: -2.707
local terms energy: -715.542869
where:
bonds (distance) C4'-P energy: -138.512
bonds (distance) P-C4' energy: -134.770
flat angles C4'-P-C4' energy: -152.547
flat angles P-C4'-P energy: -102.733
tors. eta vs tors. theta energy: -186.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1955.781339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.781339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.781339 (E_RNA)
where:
Base-Base interactions energy: -1248.523
where: short stacking energy: -560.637
Base-Backbone interact. energy: -2.993
local terms energy: -704.265481
where:
bonds (distance) C4'-P energy: -140.694
bonds (distance) P-C4' energy: -142.290
flat angles C4'-P-C4' energy: -165.187
flat angles P-C4'-P energy: -104.008
tors. eta vs tors. theta energy: -152.087
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: 6, replica: 5
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1855.045758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.045758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.045758 (E_RNA)
where:
Base-Base interactions energy: -1211.634
where: short stacking energy: -505.488
Base-Backbone interact. energy: -2.300
local terms energy: -641.111881
where:
bonds (distance) C4'-P energy: -123.087
bonds (distance) P-C4' energy: -146.707
flat angles C4'-P-C4' energy: -151.805
flat angles P-C4'-P energy: -90.905
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: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1404.762268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.762268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.762268 (E_RNA)
where:
Base-Base interactions energy: -846.402
where: short stacking energy: -420.539
Base-Backbone interact. energy: 4.990
local terms energy: -563.349516
where:
bonds (distance) C4'-P energy: -118.633
bonds (distance) P-C4' energy: -144.333
flat angles C4'-P-C4' energy: -144.039
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -79.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1284.357877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.357877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.357877 (E_RNA)
where:
Base-Base interactions energy: -759.784
where: short stacking energy: -371.310
Base-Backbone interact. energy: 7.721
local terms energy: -532.295074
where:
bonds (distance) C4'-P energy: -131.416
bonds (distance) P-C4' energy: -136.805
flat angles C4'-P-C4' energy: -123.882
flat angles P-C4'-P energy: -72.123
tors. eta vs tors. theta energy: -68.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -819.398858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.398858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.398858 (E_RNA)
where:
Base-Base interactions energy: -419.471
where: short stacking energy: -231.037
Base-Backbone interact. energy: 1.016
local terms energy: -400.943867
where:
bonds (distance) C4'-P energy: -127.448
bonds (distance) P-C4' energy: -128.840
flat angles C4'-P-C4' energy: -94.320
flat angles P-C4'-P energy: -63.998
tors. eta vs tors. theta energy: 13.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -564.587213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.587213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.587213 (E_RNA)
where:
Base-Base interactions energy: -211.961
where: short stacking energy: -130.099
Base-Backbone interact. energy: 10.379
local terms energy: -363.005295
where:
bonds (distance) C4'-P energy: -112.400
bonds (distance) P-C4' energy: -133.686
flat angles C4'-P-C4' energy: -84.812
flat angles P-C4'-P energy: -69.758
tors. eta vs tors. theta energy: 37.651
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: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2600.778667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.778667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.778667 (E_RNA)
where:
Base-Base interactions energy: -1769.886
where: short stacking energy: -758.878
Base-Backbone interact. energy: -2.427
local terms energy: -828.465547
where:
bonds (distance) C4'-P energy: -149.202
bonds (distance) P-C4' energy: -158.847
flat angles C4'-P-C4' energy: -185.350
flat angles P-C4'-P energy: -106.375
tors. eta vs tors. theta energy: -228.691
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: 3
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -2404.467981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.467981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.467981 (E_RNA)
where:
Base-Base interactions energy: -1634.440
where: short stacking energy: -673.156
Base-Backbone interact. energy: 0.694
local terms energy: -770.721723
where:
bonds (distance) C4'-P energy: -139.157
bonds (distance) P-C4' energy: -150.404
flat angles C4'-P-C4' energy: -161.455
flat angles P-C4'-P energy: -117.230
tors. eta vs tors. theta energy: -202.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -2299.202684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.202684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.202684 (E_RNA)
where:
Base-Base interactions energy: -1542.013
where: short stacking energy: -658.389
Base-Backbone interact. energy: -1.183
local terms energy: -756.005968
where:
bonds (distance) C4'-P energy: -132.673
bonds (distance) P-C4' energy: -149.049
flat angles C4'-P-C4' energy: -164.134
flat angles P-C4'-P energy: -106.397
tors. eta vs tors. theta energy: -203.754
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: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -2171.217407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2171.217407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2171.217407 (E_RNA)
where:
Base-Base interactions energy: -1445.823
where: short stacking energy: -609.009
Base-Backbone interact. energy: -4.231
local terms energy: -721.163676
where:
bonds (distance) C4'-P energy: -144.814
bonds (distance) P-C4' energy: -149.466
flat angles C4'-P-C4' energy: -149.740
flat angles P-C4'-P energy: -96.930
tors. eta vs tors. theta energy: -180.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1956.493607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.493607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.493607 (E_RNA)
where:
Base-Base interactions energy: -1303.864
where: short stacking energy: -570.992
Base-Backbone interact. energy: -3.284
local terms energy: -649.345740
where:
bonds (distance) C4'-P energy: -134.281
bonds (distance) P-C4' energy: -136.127
flat angles C4'-P-C4' energy: -131.669
flat angles P-C4'-P energy: -90.804
tors. eta vs tors. theta energy: -156.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1761.213726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.213726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.213726 (E_RNA)
where:
Base-Base interactions energy: -1189.078
where: short stacking energy: -492.194
Base-Backbone interact. energy: 1.728
local terms energy: -573.864032
where:
bonds (distance) C4'-P energy: -148.306
bonds (distance) P-C4' energy: -114.356
flat angles C4'-P-C4' energy: -115.268
flat angles P-C4'-P energy: -79.734
tors. eta vs tors. theta energy: -116.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1415.492184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.492184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.492184 (E_RNA)
where:
Base-Base interactions energy: -851.557
where: short stacking energy: -395.221
Base-Backbone interact. energy: -2.102
local terms energy: -561.833119
where:
bonds (distance) C4'-P energy: -123.200
bonds (distance) P-C4' energy: -139.839
flat angles C4'-P-C4' energy: -131.692
flat angles P-C4'-P energy: -90.779
tors. eta vs tors. theta energy: -76.324
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: 142
Temperature: 1.250000
Total energy: -1302.100420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.100420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.100420 (E_RNA)
where:
Base-Base interactions energy: -784.335
where: short stacking energy: -371.164
Base-Backbone interact. energy: 0.169
local terms energy: -517.934289
where:
bonds (distance) C4'-P energy: -105.129
bonds (distance) P-C4' energy: -135.323
flat angles C4'-P-C4' energy: -137.017
flat angles P-C4'-P energy: -73.928
tors. eta vs tors. theta energy: -66.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -830.035836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.035836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.035836 (E_RNA)
where:
Base-Base interactions energy: -399.477
where: short stacking energy: -213.372
Base-Backbone interact. energy: -2.988
local terms energy: -427.570789
where:
bonds (distance) C4'-P energy: -105.664
bonds (distance) P-C4' energy: -126.659
flat angles C4'-P-C4' energy: -128.586
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -595.033865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.033865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.033865 (E_RNA)
where:
Base-Base interactions energy: -253.061
where: short stacking energy: -177.842
Base-Backbone interact. energy: 10.638
local terms energy: -352.610341
where:
bonds (distance) C4'-P energy: -124.632
bonds (distance) P-C4' energy: -125.063
flat angles C4'-P-C4' energy: -94.511
flat angles P-C4'-P energy: -47.647
tors. eta vs tors. theta energy: 39.243
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: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2629.948735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.948735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.948735 (E_RNA)
where:
Base-Base interactions energy: -1802.762
where: short stacking energy: -751.274
Base-Backbone interact. energy: -0.764
local terms energy: -826.422838
where:
bonds (distance) C4'-P energy: -147.048
bonds (distance) P-C4' energy: -148.544
flat angles C4'-P-C4' energy: -175.921
flat angles P-C4'-P energy: -126.900
tors. eta vs tors. theta energy: -228.010
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: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -2402.753377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.753377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.753377 (E_RNA)
where:
Base-Base interactions energy: -1614.275
where: short stacking energy: -675.565
Base-Backbone interact. energy: -1.713
local terms energy: -786.765466
where:
bonds (distance) C4'-P energy: -142.841
bonds (distance) P-C4' energy: -148.973
flat angles C4'-P-C4' energy: -175.531
flat angles P-C4'-P energy: -115.515
tors. eta vs tors. theta energy: -203.904
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: 4
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -2316.821762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.821762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.821762 (E_RNA)
where:
Base-Base interactions energy: -1574.007
where: short stacking energy: -713.535
Base-Backbone interact. energy: -4.705
local terms energy: -738.110562
where:
bonds (distance) C4'-P energy: -132.702
bonds (distance) P-C4' energy: -130.800
flat angles C4'-P-C4' energy: -153.646
flat angles P-C4'-P energy: -101.306
tors. eta vs tors. theta energy: -219.657
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: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -2149.527925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.527925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.527925 (E_RNA)
where:
Base-Base interactions energy: -1431.221
where: short stacking energy: -629.245
Base-Backbone interact. energy: -1.018
local terms energy: -717.289092
where:
bonds (distance) C4'-P energy: -135.956
bonds (distance) P-C4' energy: -148.053
flat angles C4'-P-C4' energy: -162.760
flat angles P-C4'-P energy: -91.523
tors. eta vs tors. theta energy: -178.997
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: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1951.159255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.159255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.159255 (E_RNA)
where:
Base-Base interactions energy: -1272.818
where: short stacking energy: -551.120
Base-Backbone interact. energy: -0.840
local terms energy: -677.501640
where:
bonds (distance) C4'-P energy: -144.610
bonds (distance) P-C4' energy: -136.118
flat angles C4'-P-C4' energy: -143.142
flat angles P-C4'-P energy: -99.228
tors. eta vs tors. theta energy: -154.404
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1881.922630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.922630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.922630 (E_RNA)
where:
Base-Base interactions energy: -1285.327
where: short stacking energy: -509.191
Base-Backbone interact. energy: -2.358
local terms energy: -594.237201
where:
bonds (distance) C4'-P energy: -107.225
bonds (distance) P-C4' energy: -151.209
flat angles C4'-P-C4' energy: -150.272
flat angles P-C4'-P energy: -67.094
tors. eta vs tors. theta energy: -118.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1445.934314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.934314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.934314 (E_RNA)
where:
Base-Base interactions energy: -891.668
where: short stacking energy: -391.440
Base-Backbone interact. energy: -0.107
local terms energy: -554.159329
where:
bonds (distance) C4'-P energy: -127.070
bonds (distance) P-C4' energy: -137.835
flat angles C4'-P-C4' energy: -142.781
flat angles P-C4'-P energy: -66.629
tors. eta vs tors. theta energy: -79.844
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: 143
Temperature: 1.250000
Total energy: -1366.185380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.185380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.185380 (E_RNA)
where:
Base-Base interactions energy: -859.686
where: short stacking energy: -374.487
Base-Backbone interact. energy: 3.594
local terms energy: -510.094167
where:
bonds (distance) C4'-P energy: -110.977
bonds (distance) P-C4' energy: -137.269
flat angles C4'-P-C4' energy: -125.969
flat angles P-C4'-P energy: -66.345
tors. eta vs tors. theta energy: -69.535
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: 143
Temperature: 1.300000
Total energy: -761.049374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.049374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.049374 (E_RNA)
where:
Base-Base interactions energy: -348.712
where: short stacking energy: -224.486
Base-Backbone interact. energy: -0.894
local terms energy: -411.443091
where:
bonds (distance) C4'-P energy: -116.159
bonds (distance) P-C4' energy: -139.555
flat angles C4'-P-C4' energy: -108.050
flat angles P-C4'-P energy: -50.514
tors. eta vs tors. theta energy: 2.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -589.968837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.968837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.968837 (E_RNA)
where:
Base-Base interactions energy: -204.733
where: short stacking energy: -164.103
Base-Backbone interact. energy: -0.288
local terms energy: -384.948503
where:
bonds (distance) C4'-P energy: -129.751
bonds (distance) P-C4' energy: -118.803
flat angles C4'-P-C4' energy: -103.194
flat angles P-C4'-P energy: -60.681
tors. eta vs tors. theta energy: 27.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2617.458388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.458388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.458388 (E_RNA)
where:
Base-Base interactions energy: -1781.382
where: short stacking energy: -737.033
Base-Backbone interact. energy: -3.010
local terms energy: -833.066161
where:
bonds (distance) C4'-P energy: -164.203
bonds (distance) P-C4' energy: -148.951
flat angles C4'-P-C4' energy: -180.230
flat angles P-C4'-P energy: -108.150
tors. eta vs tors. theta energy: -231.532
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: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -2423.363414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.363414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.363414 (E_RNA)
where:
Base-Base interactions energy: -1637.332
where: short stacking energy: -673.038
Base-Backbone interact. energy: -3.916
local terms energy: -782.116187
where:
bonds (distance) C4'-P energy: -141.415
bonds (distance) P-C4' energy: -164.405
flat angles C4'-P-C4' energy: -168.034
flat angles P-C4'-P energy: -116.760
tors. eta vs tors. theta energy: -191.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -2349.918043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.918043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.918043 (E_RNA)
where:
Base-Base interactions energy: -1614.662
where: short stacking energy: -693.421
Base-Backbone interact. energy: 0.370
local terms energy: -735.626044
where:
bonds (distance) C4'-P energy: -140.753
bonds (distance) P-C4' energy: -135.764
flat angles C4'-P-C4' energy: -152.699
flat angles P-C4'-P energy: -102.987
tors. eta vs tors. theta energy: -203.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -2125.500278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.500278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.500278 (E_RNA)
where:
Base-Base interactions energy: -1426.941
where: short stacking energy: -644.448
Base-Backbone interact. energy: -0.890
local terms energy: -697.669873
where:
bonds (distance) C4'-P energy: -112.882
bonds (distance) P-C4' energy: -146.300
flat angles C4'-P-C4' energy: -160.231
flat angles P-C4'-P energy: -93.483
tors. eta vs tors. theta energy: -184.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1979.798369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.798369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.798369 (E_RNA)
where:
Base-Base interactions energy: -1307.603
where: short stacking energy: -574.005
Base-Backbone interact. energy: -1.128
local terms energy: -671.067159
where:
bonds (distance) C4'-P energy: -115.146
bonds (distance) P-C4' energy: -155.923
flat angles C4'-P-C4' energy: -161.106
flat angles P-C4'-P energy: -89.646
tors. eta vs tors. theta energy: -149.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1755.344184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.344184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.344184 (E_RNA)
where:
Base-Base interactions energy: -1187.200
where: short stacking energy: -485.513
Base-Backbone interact. energy: -2.397
local terms energy: -565.747047
where:
bonds (distance) C4'-P energy: -121.462
bonds (distance) P-C4' energy: -133.816
flat angles C4'-P-C4' energy: -122.372
flat angles P-C4'-P energy: -71.754
tors. eta vs tors. theta energy: -116.343
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: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1434.178510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.178510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.178510 (E_RNA)
where:
Base-Base interactions energy: -892.488
where: short stacking energy: -402.711
Base-Backbone interact. energy: 6.744
local terms energy: -548.434418
where:
bonds (distance) C4'-P energy: -139.160
bonds (distance) P-C4' energy: -131.633
flat angles C4'-P-C4' energy: -120.774
flat angles P-C4'-P energy: -74.829
tors. eta vs tors. theta energy: -82.038
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: 144
Temperature: 1.250000
Total energy: -1195.348725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.348725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.348725 (E_RNA)
where:
Base-Base interactions energy: -719.881
where: short stacking energy: -334.195
Base-Backbone interact. energy: -0.439
local terms energy: -475.028630
where:
bonds (distance) C4'-P energy: -98.531
bonds (distance) P-C4' energy: -117.302
flat angles C4'-P-C4' energy: -117.170
flat angles P-C4'-P energy: -81.462
tors. eta vs tors. theta energy: -60.563
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: 144
Temperature: 1.300000
Total energy: -731.496951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.496951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.496951 (E_RNA)
where:
Base-Base interactions energy: -321.306
where: short stacking energy: -176.881
Base-Backbone interact. energy: -4.355
local terms energy: -405.836908
where:
bonds (distance) C4'-P energy: -123.330
bonds (distance) P-C4' energy: -114.577
flat angles C4'-P-C4' energy: -93.724
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -603.420724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.420724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.420724 (E_RNA)
where:
Base-Base interactions energy: -236.629
where: short stacking energy: -178.053
Base-Backbone interact. energy: 2.961
local terms energy: -369.753512
where:
bonds (distance) C4'-P energy: -121.490
bonds (distance) P-C4' energy: -125.318
flat angles C4'-P-C4' energy: -93.256
flat angles P-C4'-P energy: -52.740
tors. eta vs tors. theta energy: 23.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2610.641829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.641829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.641829 (E_RNA)
where:
Base-Base interactions energy: -1807.261
where: short stacking energy: -754.889
Base-Backbone interact. energy: -2.784
local terms energy: -800.597060
where:
bonds (distance) C4'-P energy: -134.894
bonds (distance) P-C4' energy: -138.927
flat angles C4'-P-C4' energy: -180.984
flat angles P-C4'-P energy: -120.932
tors. eta vs tors. theta energy: -224.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -2435.217036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.217036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.217036 (E_RNA)
where:
Base-Base interactions energy: -1634.093
where: short stacking energy: -707.873
Base-Backbone interact. energy: -2.645
local terms energy: -798.478825
where:
bonds (distance) C4'-P energy: -147.540
bonds (distance) P-C4' energy: -159.518
flat angles C4'-P-C4' energy: -165.157
flat angles P-C4'-P energy: -104.852
tors. eta vs tors. theta energy: -221.412
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: 145
Temperature: 1.000000
Total energy: -2328.357427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.357427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.357427 (E_RNA)
where:
Base-Base interactions energy: -1612.666
where: short stacking energy: -662.542
Base-Backbone interact. energy: -2.489
local terms energy: -713.202697
where:
bonds (distance) C4'-P energy: -128.233
bonds (distance) P-C4' energy: -142.366
flat angles C4'-P-C4' energy: -148.635
flat angles P-C4'-P energy: -108.389
tors. eta vs tors. theta energy: -185.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -2148.201168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.201168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.201168 (E_RNA)
where:
Base-Base interactions energy: -1420.162
where: short stacking energy: -604.903
Base-Backbone interact. energy: -2.486
local terms energy: -725.552754
where:
bonds (distance) C4'-P energy: -142.662
bonds (distance) P-C4' energy: -134.820
flat angles C4'-P-C4' energy: -149.887
flat angles P-C4'-P energy: -110.962
tors. eta vs tors. theta energy: -187.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -2008.126028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.126028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.126028 (E_RNA)
where:
Base-Base interactions energy: -1375.476
where: short stacking energy: -591.444
Base-Backbone interact. energy: -0.490
local terms energy: -632.160249
where:
bonds (distance) C4'-P energy: -112.025
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -134.315
flat angles P-C4'-P energy: -95.854
tors. eta vs tors. theta energy: -160.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1761.055971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.055971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.055971 (E_RNA)
where:
Base-Base interactions energy: -1136.777
where: short stacking energy: -462.380
Base-Backbone interact. energy: -0.064
local terms energy: -624.214670
where:
bonds (distance) C4'-P energy: -158.883
bonds (distance) P-C4' energy: -133.056
flat angles C4'-P-C4' energy: -139.164
flat angles P-C4'-P energy: -82.456
tors. eta vs tors. theta energy: -110.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1375.466982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.466982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.466982 (E_RNA)
where:
Base-Base interactions energy: -825.541
where: short stacking energy: -390.484
Base-Backbone interact. energy: -1.256
local terms energy: -548.669308
where:
bonds (distance) C4'-P energy: -140.503
bonds (distance) P-C4' energy: -109.404
flat angles C4'-P-C4' energy: -133.126
flat angles P-C4'-P energy: -91.281
tors. eta vs tors. theta energy: -74.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1138.822531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.822531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.822531 (E_RNA)
where:
Base-Base interactions energy: -619.099
where: short stacking energy: -317.597
Base-Backbone interact. energy: -2.056
local terms energy: -517.666863
where:
bonds (distance) C4'-P energy: -142.266
bonds (distance) P-C4' energy: -134.469
flat angles C4'-P-C4' energy: -130.042
flat angles P-C4'-P energy: -71.638
tors. eta vs tors. theta energy: -39.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -793.762188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.762188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.762188 (E_RNA)
where:
Base-Base interactions energy: -358.568
where: short stacking energy: -219.443
Base-Backbone interact. energy: 0.394
local terms energy: -435.588046
where:
bonds (distance) C4'-P energy: -135.250
bonds (distance) P-C4' energy: -125.569
flat angles C4'-P-C4' energy: -104.053
flat angles P-C4'-P energy: -78.202
tors. eta vs tors. theta energy: 7.486
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: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -602.345081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.345081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.345081 (E_RNA)
where:
Base-Base interactions energy: -244.998
where: short stacking energy: -156.229
Base-Backbone interact. energy: 2.978
local terms energy: -360.324681
where:
bonds (distance) C4'-P energy: -121.438
bonds (distance) P-C4' energy: -121.986
flat angles C4'-P-C4' energy: -93.881
flat angles P-C4'-P energy: -57.526
tors. eta vs tors. theta energy: 34.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2613.868310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.868310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.868310 (E_RNA)
where:
Base-Base interactions energy: -1792.917
where: short stacking energy: -751.714
Base-Backbone interact. energy: -0.898
local terms energy: -820.053052
where:
bonds (distance) C4'-P energy: -151.786
bonds (distance) P-C4' energy: -140.672
flat angles C4'-P-C4' energy: -175.512
flat angles P-C4'-P energy: -115.379
tors. eta vs tors. theta energy: -236.704
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -2406.279287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.279287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.279287 (E_RNA)
where:
Base-Base interactions energy: -1623.973
where: short stacking energy: -722.678
Base-Backbone interact. energy: -0.141
local terms energy: -782.165988
where:
bonds (distance) C4'-P energy: -145.796
bonds (distance) P-C4' energy: -154.695
flat angles C4'-P-C4' energy: -159.491
flat angles P-C4'-P energy: -108.246
tors. eta vs tors. theta energy: -213.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -2304.912607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.912607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.912607 (E_RNA)
where:
Base-Base interactions energy: -1592.576
where: short stacking energy: -669.996
Base-Backbone interact. energy: 2.889
local terms energy: -715.225654
where:
bonds (distance) C4'-P energy: -109.914
bonds (distance) P-C4' energy: -145.933
flat angles C4'-P-C4' energy: -159.423
flat angles P-C4'-P energy: -107.929
tors. eta vs tors. theta energy: -192.028
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: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -2167.887586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.887586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.887586 (E_RNA)
where:
Base-Base interactions energy: -1440.174
where: short stacking energy: -633.377
Base-Backbone interact. energy: -0.882
local terms energy: -726.832250
where:
bonds (distance) C4'-P energy: -142.809
bonds (distance) P-C4' energy: -148.716
flat angles C4'-P-C4' energy: -154.366
flat angles P-C4'-P energy: -105.618
tors. eta vs tors. theta energy: -175.323
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: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1989.900867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.900867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.900867 (E_RNA)
where:
Base-Base interactions energy: -1316.613
where: short stacking energy: -537.035
Base-Backbone interact. energy: -2.879
local terms energy: -670.409381
where:
bonds (distance) C4'-P energy: -118.323
bonds (distance) P-C4' energy: -145.302
flat angles C4'-P-C4' energy: -158.526
flat angles P-C4'-P energy: -100.863
tors. eta vs tors. theta energy: -147.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1815.947166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.947166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.947166 (E_RNA)
where:
Base-Base interactions energy: -1204.305
where: short stacking energy: -517.353
Base-Backbone interact. energy: -1.317
local terms energy: -610.325470
where:
bonds (distance) C4'-P energy: -129.853
bonds (distance) P-C4' energy: -131.639
flat angles C4'-P-C4' energy: -140.823
flat angles P-C4'-P energy: -79.052
tors. eta vs tors. theta energy: -128.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1377.972319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.972319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.972319 (E_RNA)
where:
Base-Base interactions energy: -815.454
where: short stacking energy: -408.119
Base-Backbone interact. energy: 1.488
local terms energy: -564.005737
where:
bonds (distance) C4'-P energy: -132.141
bonds (distance) P-C4' energy: -134.184
flat angles C4'-P-C4' energy: -141.865
flat angles P-C4'-P energy: -86.007
tors. eta vs tors. theta energy: -69.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1217.673435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.673435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.673435 (E_RNA)
where:
Base-Base interactions energy: -719.559
where: short stacking energy: -331.283
Base-Backbone interact. energy: 0.612
local terms energy: -498.725668
where:
bonds (distance) C4'-P energy: -125.365
bonds (distance) P-C4' energy: -148.588
flat angles C4'-P-C4' energy: -140.085
flat angles P-C4'-P energy: -50.874
tors. eta vs tors. theta energy: -33.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -837.879110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.879110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.879110 (E_RNA)
where:
Base-Base interactions energy: -395.320
where: short stacking energy: -209.863
Base-Backbone interact. energy: -3.861
local terms energy: -438.697797
where:
bonds (distance) C4'-P energy: -115.786
bonds (distance) P-C4' energy: -141.198
flat angles C4'-P-C4' energy: -117.716
flat angles P-C4'-P energy: -52.180
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -675.035733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.035733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.035733 (E_RNA)
where:
Base-Base interactions energy: -294.979
where: short stacking energy: -155.087
Base-Backbone interact. energy: 1.494
local terms energy: -381.550694
where:
bonds (distance) C4'-P energy: -120.033
bonds (distance) P-C4' energy: -103.927
flat angles C4'-P-C4' energy: -103.224
flat angles P-C4'-P energy: -69.137
tors. eta vs tors. theta energy: 14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2611.635018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.635018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.635018 (E_RNA)
where:
Base-Base interactions energy: -1802.817
where: short stacking energy: -750.236
Base-Backbone interact. energy: -0.478
local terms energy: -808.339840
where:
bonds (distance) C4'-P energy: -158.793
bonds (distance) P-C4' energy: -136.628
flat angles C4'-P-C4' energy: -166.523
flat angles P-C4'-P energy: -113.711
tors. eta vs tors. theta energy: -232.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -2393.656213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.656213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.656213 (E_RNA)
where:
Base-Base interactions energy: -1616.308
where: short stacking energy: -691.441
Base-Backbone interact. energy: -4.667
local terms energy: -772.681581
where:
bonds (distance) C4'-P energy: -149.794
bonds (distance) P-C4' energy: -152.618
flat angles C4'-P-C4' energy: -169.503
flat angles P-C4'-P energy: -89.304
tors. eta vs tors. theta energy: -211.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -2352.938494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.938494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.938494 (E_RNA)
where:
Base-Base interactions energy: -1644.475
where: short stacking energy: -644.706
Base-Backbone interact. energy: -4.430
local terms energy: -704.033900
where:
bonds (distance) C4'-P energy: -124.673
bonds (distance) P-C4' energy: -134.981
flat angles C4'-P-C4' energy: -156.218
flat angles P-C4'-P energy: -101.684
tors. eta vs tors. theta energy: -186.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -2115.044936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.044936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.044936 (E_RNA)
where:
Base-Base interactions energy: -1368.483
where: short stacking energy: -601.708
Base-Backbone interact. energy: -1.346
local terms energy: -745.216174
where:
bonds (distance) C4'-P energy: -142.886
bonds (distance) P-C4' energy: -155.654
flat angles C4'-P-C4' energy: -158.607
flat angles P-C4'-P energy: -112.773
tors. eta vs tors. theta energy: -175.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -2083.066584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.066584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.066584 (E_RNA)
where:
Base-Base interactions energy: -1404.639
where: short stacking energy: -599.028
Base-Backbone interact. energy: 5.490
local terms energy: -683.917782
where:
bonds (distance) C4'-P energy: -131.728
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -136.835
flat angles P-C4'-P energy: -119.763
tors. eta vs tors. theta energy: -169.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1732.018715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.018715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.018715 (E_RNA)
where:
Base-Base interactions energy: -1165.674
where: short stacking energy: -456.352
Base-Backbone interact. energy: 2.882
local terms energy: -569.226518
where:
bonds (distance) C4'-P energy: -113.952
bonds (distance) P-C4' energy: -124.219
flat angles C4'-P-C4' energy: -147.898
flat angles P-C4'-P energy: -78.301
tors. eta vs tors. theta energy: -104.857
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: 7
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1368.746037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.746037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.746037 (E_RNA)
where:
Base-Base interactions energy: -808.415
where: short stacking energy: -377.022
Base-Backbone interact. energy: -0.708
local terms energy: -559.623880
where:
bonds (distance) C4'-P energy: -130.291
bonds (distance) P-C4' energy: -129.778
flat angles C4'-P-C4' energy: -128.977
flat angles P-C4'-P energy: -86.133
tors. eta vs tors. theta energy: -84.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1228.056951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.056951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.056951 (E_RNA)
where:
Base-Base interactions energy: -738.015
where: short stacking energy: -357.924
Base-Backbone interact. energy: 6.323
local terms energy: -496.364691
where:
bonds (distance) C4'-P energy: -125.305
bonds (distance) P-C4' energy: -129.342
flat angles C4'-P-C4' energy: -109.353
flat angles P-C4'-P energy: -69.152
tors. eta vs tors. theta energy: -63.213
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: 147
Temperature: 1.300000
Total energy: -753.373584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.373584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.373584 (E_RNA)
where:
Base-Base interactions energy: -362.205
where: short stacking energy: -202.494
Base-Backbone interact. energy: -0.893
local terms energy: -390.275365
where:
bonds (distance) C4'-P energy: -94.615
bonds (distance) P-C4' energy: -128.057
flat angles C4'-P-C4' energy: -126.943
flat angles P-C4'-P energy: -56.782
tors. eta vs tors. theta energy: 16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -651.639311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.639311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.639311 (E_RNA)
where:
Base-Base interactions energy: -263.391
where: short stacking energy: -188.429
Base-Backbone interact. energy: 0.365
local terms energy: -388.613486
where:
bonds (distance) C4'-P energy: -105.683
bonds (distance) P-C4' energy: -131.831
flat angles C4'-P-C4' energy: -95.028
flat angles P-C4'-P energy: -66.932
tors. eta vs tors. theta energy: 10.861
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2624.890937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.890937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.890937 (E_RNA)
where:
Base-Base interactions energy: -1781.557
where: short stacking energy: -765.455
Base-Backbone interact. energy: -4.191
local terms energy: -839.143662
where:
bonds (distance) C4'-P energy: -152.743
bonds (distance) P-C4' energy: -154.247
flat angles C4'-P-C4' energy: -172.534
flat angles P-C4'-P energy: -126.142
tors. eta vs tors. theta energy: -233.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -2373.148506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.148506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.148506 (E_RNA)
where:
Base-Base interactions energy: -1611.316
where: short stacking energy: -714.051
Base-Backbone interact. energy: -0.672
local terms energy: -761.160242
where:
bonds (distance) C4'-P energy: -139.203
bonds (distance) P-C4' energy: -150.777
flat angles C4'-P-C4' energy: -155.431
flat angles P-C4'-P energy: -104.537
tors. eta vs tors. theta energy: -211.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -2317.796774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.796774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.796774 (E_RNA)
where:
Base-Base interactions energy: -1578.269
where: short stacking energy: -651.133
Base-Backbone interact. energy: -0.745
local terms energy: -738.782986
where:
bonds (distance) C4'-P energy: -145.282
bonds (distance) P-C4' energy: -136.929
flat angles C4'-P-C4' energy: -162.330
flat angles P-C4'-P energy: -102.338
tors. eta vs tors. theta energy: -191.903
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: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -2143.748687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.748687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.748687 (E_RNA)
where:
Base-Base interactions energy: -1428.892
where: short stacking energy: -622.790
Base-Backbone interact. energy: -0.474
local terms energy: -714.383474
where:
bonds (distance) C4'-P energy: -146.057
bonds (distance) P-C4' energy: -141.084
flat angles C4'-P-C4' energy: -150.207
flat angles P-C4'-P energy: -89.707
tors. eta vs tors. theta energy: -187.329
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: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -2074.870553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.870553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.870553 (E_RNA)
where:
Base-Base interactions energy: -1355.911
where: short stacking energy: -565.117
Base-Backbone interact. energy: -2.431
local terms energy: -716.528352
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -149.881
flat angles C4'-P-C4' energy: -168.205
flat angles P-C4'-P energy: -113.593
tors. eta vs tors. theta energy: -157.419
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: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1724.052177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.052177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.052177 (E_RNA)
where:
Base-Base interactions energy: -1098.754
where: short stacking energy: -447.709
Base-Backbone interact. energy: -0.088
local terms energy: -625.209776
where:
bonds (distance) C4'-P energy: -132.736
bonds (distance) P-C4' energy: -137.936
flat angles C4'-P-C4' energy: -142.385
flat angles P-C4'-P energy: -94.097
tors. eta vs tors. theta energy: -118.055
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: 7, replica: 7
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1328.742600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.742600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.742600 (E_RNA)
where:
Base-Base interactions energy: -785.120
where: short stacking energy: -369.158
Base-Backbone interact. energy: 0.289
local terms energy: -543.911714
where:
bonds (distance) C4'-P energy: -132.184
bonds (distance) P-C4' energy: -133.715
flat angles C4'-P-C4' energy: -128.567
flat angles P-C4'-P energy: -83.362
tors. eta vs tors. theta energy: -66.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1223.571622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.571622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.571622 (E_RNA)
where:
Base-Base interactions energy: -694.010
where: short stacking energy: -340.316
Base-Backbone interact. energy: -2.725
local terms energy: -526.836676
where:
bonds (distance) C4'-P energy: -123.444
bonds (distance) P-C4' energy: -135.980
flat angles C4'-P-C4' energy: -126.937
flat angles P-C4'-P energy: -65.406
tors. eta vs tors. theta energy: -75.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -716.973288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.973288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.973288 (E_RNA)
where:
Base-Base interactions energy: -322.411
where: short stacking energy: -189.091
Base-Backbone interact. energy: -3.141
local terms energy: -391.420925
where:
bonds (distance) C4'-P energy: -122.616
bonds (distance) P-C4' energy: -139.558
flat angles C4'-P-C4' energy: -90.184
flat angles P-C4'-P energy: -58.874
tors. eta vs tors. theta energy: 19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -621.268403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.268403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.268403 (E_RNA)
where:
Base-Base interactions energy: -256.716
where: short stacking energy: -170.416
Base-Backbone interact. energy: 0.692
local terms energy: -365.244796
where:
bonds (distance) C4'-P energy: -104.922
bonds (distance) P-C4' energy: -141.640
flat angles C4'-P-C4' energy: -94.159
flat angles P-C4'-P energy: -42.382
tors. eta vs tors. theta energy: 17.858
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: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2611.558460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.558460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.558460 (E_RNA)
where:
Base-Base interactions energy: -1807.368
where: short stacking energy: -753.725
Base-Backbone interact. energy: -3.109
local terms energy: -801.080986
where:
bonds (distance) C4'-P energy: -135.635
bonds (distance) P-C4' energy: -146.696
flat angles C4'-P-C4' energy: -158.001
flat angles P-C4'-P energy: -125.022
tors. eta vs tors. theta energy: -235.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -2405.207215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.207215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.207215 (E_RNA)
where:
Base-Base interactions energy: -1635.391
where: short stacking energy: -649.310
Base-Backbone interact. energy: -4.130
local terms energy: -765.685287
where:
bonds (distance) C4'-P energy: -146.248
bonds (distance) P-C4' energy: -154.964
flat angles C4'-P-C4' energy: -164.117
flat angles P-C4'-P energy: -110.321
tors. eta vs tors. theta energy: -190.035
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: 4
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -2301.673625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.673625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.673625 (E_RNA)
where:
Base-Base interactions energy: -1570.919
where: short stacking energy: -638.303
Base-Backbone interact. energy: -2.597
local terms energy: -728.157268
where:
bonds (distance) C4'-P energy: -124.977
bonds (distance) P-C4' energy: -130.896
flat angles C4'-P-C4' energy: -161.130
flat angles P-C4'-P energy: -122.974
tors. eta vs tors. theta energy: -188.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -2167.216327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.216327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.216327 (E_RNA)
where:
Base-Base interactions energy: -1438.662
where: short stacking energy: -635.793
Base-Backbone interact. energy: 2.174
local terms energy: -730.728266
where:
bonds (distance) C4'-P energy: -132.301
bonds (distance) P-C4' energy: -130.363
flat angles C4'-P-C4' energy: -171.658
flat angles P-C4'-P energy: -105.540
tors. eta vs tors. theta energy: -190.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -2050.047476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.047476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.047476 (E_RNA)
where:
Base-Base interactions energy: -1337.744
where: short stacking energy: -613.686
Base-Backbone interact. energy: -3.652
local terms energy: -708.651480
where:
bonds (distance) C4'-P energy: -140.949
bonds (distance) P-C4' energy: -144.568
flat angles C4'-P-C4' energy: -153.145
flat angles P-C4'-P energy: -102.623
tors. eta vs tors. theta energy: -167.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1681.017161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.017161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.017161 (E_RNA)
where:
Base-Base interactions energy: -1111.592
where: short stacking energy: -487.953
Base-Backbone interact. energy: 3.023
local terms energy: -572.447711
where:
bonds (distance) C4'-P energy: -124.698
bonds (distance) P-C4' energy: -120.072
flat angles C4'-P-C4' energy: -138.287
flat angles P-C4'-P energy: -76.013
tors. eta vs tors. theta energy: -113.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1328.772282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.772282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.772282 (E_RNA)
where:
Base-Base interactions energy: -748.613
where: short stacking energy: -373.963
Base-Backbone interact. energy: -0.162
local terms energy: -579.997120
where:
bonds (distance) C4'-P energy: -135.365
bonds (distance) P-C4' energy: -143.925
flat angles C4'-P-C4' energy: -139.637
flat angles P-C4'-P energy: -87.550
tors. eta vs tors. theta energy: -73.521
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: 149
Temperature: 1.250000
Total energy: -1231.544642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.544642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.544642 (E_RNA)
where:
Base-Base interactions energy: -703.687
where: short stacking energy: -334.565
Base-Backbone interact. energy: -1.857
local terms energy: -525.999698
where:
bonds (distance) C4'-P energy: -132.539
bonds (distance) P-C4' energy: -141.405
flat angles C4'-P-C4' energy: -125.786
flat angles P-C4'-P energy: -62.429
tors. eta vs tors. theta energy: -63.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -756.030426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.030426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.030426 (E_RNA)
where:
Base-Base interactions energy: -353.987
where: short stacking energy: -241.562
Base-Backbone interact. energy: 0.993
local terms energy: -403.036778
where:
bonds (distance) C4'-P energy: -125.353
bonds (distance) P-C4' energy: -118.598
flat angles C4'-P-C4' energy: -103.941
flat angles P-C4'-P energy: -60.426
tors. eta vs tors. theta energy: 5.281
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: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -589.400660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.400660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.400660 (E_RNA)
where:
Base-Base interactions energy: -214.056
where: short stacking energy: -131.625
Base-Backbone interact. energy: 3.071
local terms energy: -378.415400
where:
bonds (distance) C4'-P energy: -118.334
bonds (distance) P-C4' energy: -133.388
flat angles C4'-P-C4' energy: -104.110
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: 33.980
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: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2617.216603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.216603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.216603 (E_RNA)
where:
Base-Base interactions energy: -1777.676
where: short stacking energy: -754.943
Base-Backbone interact. energy: -3.951
local terms energy: -835.590406
where:
bonds (distance) C4'-P energy: -159.437
bonds (distance) P-C4' energy: -158.405
flat angles C4'-P-C4' energy: -178.831
flat angles P-C4'-P energy: -107.373
tors. eta vs tors. theta energy: -231.544
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: 150
Temperature: 0.950000
Total energy: -2433.840830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.840830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.840830 (E_RNA)
where:
Base-Base interactions energy: -1683.363
where: short stacking energy: -706.030
Base-Backbone interact. energy: -4.561
local terms energy: -745.916991
where:
bonds (distance) C4'-P energy: -149.630
bonds (distance) P-C4' energy: -141.080
flat angles C4'-P-C4' energy: -150.969
flat angles P-C4'-P energy: -100.737
tors. eta vs tors. theta energy: -203.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -2342.573324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.573324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.573324 (E_RNA)
where:
Base-Base interactions energy: -1562.879
where: short stacking energy: -688.676
Base-Backbone interact. energy: -1.904
local terms energy: -777.789786
where:
bonds (distance) C4'-P energy: -142.226
bonds (distance) P-C4' energy: -153.117
flat angles C4'-P-C4' energy: -168.511
flat angles P-C4'-P energy: -109.074
tors. eta vs tors. theta energy: -204.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -2165.398948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.398948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.398948 (E_RNA)
where:
Base-Base interactions energy: -1431.610
where: short stacking energy: -639.474
Base-Backbone interact. energy: 0.743
local terms energy: -734.532437
where:
bonds (distance) C4'-P energy: -135.177
bonds (distance) P-C4' energy: -134.569
flat angles C4'-P-C4' energy: -167.917
flat angles P-C4'-P energy: -108.069
tors. eta vs tors. theta energy: -188.800
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: 5, replica: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1965.538608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.538608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.538608 (E_RNA)
where:
Base-Base interactions energy: -1307.152
where: short stacking energy: -555.722
Base-Backbone interact. energy: -1.807
local terms energy: -656.579038
where:
bonds (distance) C4'-P energy: -135.013
bonds (distance) P-C4' energy: -132.582
flat angles C4'-P-C4' energy: -148.241
flat angles P-C4'-P energy: -88.601
tors. eta vs tors. theta energy: -152.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1743.743449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.743449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.743449 (E_RNA)
where:
Base-Base interactions energy: -1131.083
where: short stacking energy: -469.444
Base-Backbone interact. energy: -3.952
local terms energy: -608.708474
where:
bonds (distance) C4'-P energy: -118.584
bonds (distance) P-C4' energy: -137.787
flat angles C4'-P-C4' energy: -131.361
flat angles P-C4'-P energy: -94.890
tors. eta vs tors. theta energy: -126.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1319.342226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.342226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.342226 (E_RNA)
where:
Base-Base interactions energy: -792.268
where: short stacking energy: -377.895
Base-Backbone interact. energy: 1.597
local terms energy: -528.671268
where:
bonds (distance) C4'-P energy: -133.207
bonds (distance) P-C4' energy: -131.262
flat angles C4'-P-C4' energy: -125.918
flat angles P-C4'-P energy: -84.807
tors. eta vs tors. theta energy: -53.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1259.020480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.020480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.020480 (E_RNA)
where:
Base-Base interactions energy: -729.713
where: short stacking energy: -375.631
Base-Backbone interact. energy: -4.642
local terms energy: -524.664702
where:
bonds (distance) C4'-P energy: -120.023
bonds (distance) P-C4' energy: -127.022
flat angles C4'-P-C4' energy: -111.305
flat angles P-C4'-P energy: -88.085
tors. eta vs tors. theta energy: -78.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -763.584224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.584224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.584224 (E_RNA)
where:
Base-Base interactions energy: -335.143
where: short stacking energy: -188.692
Base-Backbone interact. energy: -2.634
local terms energy: -425.806832
where:
bonds (distance) C4'-P energy: -125.636
bonds (distance) P-C4' energy: -137.644
flat angles C4'-P-C4' energy: -104.679
flat angles P-C4'-P energy: -84.122
tors. eta vs tors. theta energy: 26.275
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: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -598.324879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.324879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.324879 (E_RNA)
where:
Base-Base interactions energy: -216.122
where: short stacking energy: -142.670
Base-Backbone interact. energy: 1.862
local terms energy: -384.065034
where:
bonds (distance) C4'-P energy: -105.020
bonds (distance) P-C4' energy: -139.438
flat angles C4'-P-C4' energy: -120.208
flat angles P-C4'-P energy: -54.165
tors. eta vs tors. theta energy: 34.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2631.252420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.252420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.252420 (E_RNA)
where:
Base-Base interactions energy: -1798.425
where: short stacking energy: -762.193
Base-Backbone interact. energy: -4.158
local terms energy: -828.669948
where:
bonds (distance) C4'-P energy: -143.870
bonds (distance) P-C4' energy: -157.724
flat angles C4'-P-C4' energy: -170.528
flat angles P-C4'-P energy: -130.397
tors. eta vs tors. theta energy: -226.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -2399.561897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2399.561897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2399.561897 (E_RNA)
where:
Base-Base interactions energy: -1635.151
where: short stacking energy: -686.528
Base-Backbone interact. energy: -2.897
local terms energy: -761.513576
where:
bonds (distance) C4'-P energy: -119.696
bonds (distance) P-C4' energy: -158.679
flat angles C4'-P-C4' energy: -168.965
flat angles P-C4'-P energy: -114.361
tors. eta vs tors. theta energy: -199.813
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: 4
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -2353.205559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.205559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.205559 (E_RNA)
where:
Base-Base interactions energy: -1575.325
where: short stacking energy: -703.630
Base-Backbone interact. energy: 3.535
local terms energy: -781.415118
where:
bonds (distance) C4'-P energy: -147.182
bonds (distance) P-C4' energy: -144.275
flat angles C4'-P-C4' energy: -167.995
flat angles P-C4'-P energy: -101.314
tors. eta vs tors. theta energy: -220.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -2156.610554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.610554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.610554 (E_RNA)
where:
Base-Base interactions energy: -1414.470
where: short stacking energy: -620.681
Base-Backbone interact. energy: 3.427
local terms energy: -745.567030
where:
bonds (distance) C4'-P energy: -159.469
bonds (distance) P-C4' energy: -141.851
flat angles C4'-P-C4' energy: -162.967
flat angles P-C4'-P energy: -98.921
tors. eta vs tors. theta energy: -182.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -2035.018712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.018712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.018712 (E_RNA)
where:
Base-Base interactions energy: -1354.458
where: short stacking energy: -572.082
Base-Backbone interact. energy: -0.901
local terms energy: -679.659867
where:
bonds (distance) C4'-P energy: -135.798
bonds (distance) P-C4' energy: -129.308
flat angles C4'-P-C4' energy: -158.062
flat angles P-C4'-P energy: -108.021
tors. eta vs tors. theta energy: -148.471
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: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1725.663798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.663798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.663798 (E_RNA)
where:
Base-Base interactions energy: -1164.009
where: short stacking energy: -510.371
Base-Backbone interact. energy: 3.101
local terms energy: -564.754871
where:
bonds (distance) C4'-P energy: -122.082
bonds (distance) P-C4' energy: -137.451
flat angles C4'-P-C4' energy: -127.665
flat angles P-C4'-P energy: -51.865
tors. eta vs tors. theta energy: -125.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1283.317109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.317109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.317109 (E_RNA)
where:
Base-Base interactions energy: -723.121
where: short stacking energy: -344.503
Base-Backbone interact. energy: 0.225
local terms energy: -560.421183
where:
bonds (distance) C4'-P energy: -140.558
bonds (distance) P-C4' energy: -154.996
flat angles C4'-P-C4' energy: -139.160
flat angles P-C4'-P energy: -64.943
tors. eta vs tors. theta energy: -60.764
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: 151
Temperature: 1.250000
Total energy: -1205.185345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.185345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.185345 (E_RNA)
where:
Base-Base interactions energy: -676.741
where: short stacking energy: -356.908
Base-Backbone interact. energy: 0.470
local terms energy: -528.914659
where:
bonds (distance) C4'-P energy: -126.411
bonds (distance) P-C4' energy: -127.432
flat angles C4'-P-C4' energy: -125.559
flat angles P-C4'-P energy: -75.752
tors. eta vs tors. theta energy: -73.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -774.590881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.590881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.590881 (E_RNA)
where:
Base-Base interactions energy: -365.226
where: short stacking energy: -215.478
Base-Backbone interact. energy: -0.063
local terms energy: -409.301888
where:
bonds (distance) C4'-P energy: -116.243
bonds (distance) P-C4' energy: -129.679
flat angles C4'-P-C4' energy: -103.226
flat angles P-C4'-P energy: -61.311
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -647.596344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.596344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.596344 (E_RNA)
where:
Base-Base interactions energy: -237.596
where: short stacking energy: -164.177
Base-Backbone interact. energy: -1.448
local terms energy: -408.552135
where:
bonds (distance) C4'-P energy: -131.315
bonds (distance) P-C4' energy: -114.965
flat angles C4'-P-C4' energy: -102.103
flat angles P-C4'-P energy: -82.234
tors. eta vs tors. theta energy: 22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2618.545972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.545972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.545972 (E_RNA)
where:
Base-Base interactions energy: -1784.285
where: short stacking energy: -740.349
Base-Backbone interact. energy: -1.982
local terms energy: -832.278466
where:
bonds (distance) C4'-P energy: -153.160
bonds (distance) P-C4' energy: -157.829
flat angles C4'-P-C4' energy: -178.504
flat angles P-C4'-P energy: -117.161
tors. eta vs tors. theta energy: -225.624
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: 152
Temperature: 0.950000
Total energy: -2424.288853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.288853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.288853 (E_RNA)
where:
Base-Base interactions energy: -1665.852
where: short stacking energy: -689.621
Base-Backbone interact. energy: 2.064
local terms energy: -760.500513
where:
bonds (distance) C4'-P energy: -140.064
bonds (distance) P-C4' energy: -150.067
flat angles C4'-P-C4' energy: -165.284
flat angles P-C4'-P energy: -105.339
tors. eta vs tors. theta energy: -199.746
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: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -2338.041971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.041971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.041971 (E_RNA)
where:
Base-Base interactions energy: -1565.554
where: short stacking energy: -681.157
Base-Backbone interact. energy: -4.125
local terms energy: -768.362765
where:
bonds (distance) C4'-P energy: -139.173
bonds (distance) P-C4' energy: -136.326
flat angles C4'-P-C4' energy: -168.280
flat angles P-C4'-P energy: -116.793
tors. eta vs tors. theta energy: -207.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -2140.351325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.351325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.351325 (E_RNA)
where:
Base-Base interactions energy: -1398.229
where: short stacking energy: -614.457
Base-Backbone interact. energy: -1.757
local terms energy: -740.364587
where:
bonds (distance) C4'-P energy: -148.275
bonds (distance) P-C4' energy: -155.089
flat angles C4'-P-C4' energy: -157.019
flat angles P-C4'-P energy: -101.383
tors. eta vs tors. theta energy: -178.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -2033.470774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.470774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.470774 (E_RNA)
where:
Base-Base interactions energy: -1360.565
where: short stacking energy: -602.615
Base-Backbone interact. energy: -0.456
local terms energy: -672.450339
where:
bonds (distance) C4'-P energy: -131.964
bonds (distance) P-C4' energy: -147.271
flat angles C4'-P-C4' energy: -148.422
flat angles P-C4'-P energy: -79.566
tors. eta vs tors. theta energy: -165.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1674.733452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.733452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.733452 (E_RNA)
where:
Base-Base interactions energy: -1082.115
where: short stacking energy: -459.294
Base-Backbone interact. energy: 1.863
local terms energy: -594.481656
where:
bonds (distance) C4'-P energy: -142.340
bonds (distance) P-C4' energy: -131.574
flat angles C4'-P-C4' energy: -134.216
flat angles P-C4'-P energy: -85.092
tors. eta vs tors. theta energy: -101.260
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: 152
Temperature: 1.200000
Total energy: -1299.098098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.098098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.098098 (E_RNA)
where:
Base-Base interactions energy: -748.107
where: short stacking energy: -376.838
Base-Backbone interact. energy: 4.090
local terms energy: -555.081670
where:
bonds (distance) C4'-P energy: -126.984
bonds (distance) P-C4' energy: -148.232
flat angles C4'-P-C4' energy: -119.225
flat angles P-C4'-P energy: -90.445
tors. eta vs tors. theta energy: -70.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1229.868158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.868158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.868158 (E_RNA)
where:
Base-Base interactions energy: -714.919
where: short stacking energy: -346.537
Base-Backbone interact. energy: 4.310
local terms energy: -519.259366
where:
bonds (distance) C4'-P energy: -124.742
bonds (distance) P-C4' energy: -142.696
flat angles C4'-P-C4' energy: -136.207
flat angles P-C4'-P energy: -72.524
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -807.911678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.911678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.911678 (E_RNA)
where:
Base-Base interactions energy: -380.838
where: short stacking energy: -219.097
Base-Backbone interact. energy: -2.485
local terms energy: -424.588002
where:
bonds (distance) C4'-P energy: -129.464
bonds (distance) P-C4' energy: -147.136
flat angles C4'-P-C4' energy: -90.561
flat angles P-C4'-P energy: -73.795
tors. eta vs tors. theta energy: 16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -610.433634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.433634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.433634 (E_RNA)
where:
Base-Base interactions energy: -239.571
where: short stacking energy: -139.047
Base-Backbone interact. energy: 1.377
local terms energy: -372.239859
where:
bonds (distance) C4'-P energy: -130.231
bonds (distance) P-C4' energy: -123.359
flat angles C4'-P-C4' energy: -86.019
flat angles P-C4'-P energy: -66.457
tors. eta vs tors. theta energy: 33.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2612.296069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.296069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.296069 (E_RNA)
where:
Base-Base interactions energy: -1789.930
where: short stacking energy: -739.977
Base-Backbone interact. energy: -3.776
local terms energy: -818.590066
where:
bonds (distance) C4'-P energy: -158.591
bonds (distance) P-C4' energy: -150.946
flat angles C4'-P-C4' energy: -170.780
flat angles P-C4'-P energy: -110.870
tors. eta vs tors. theta energy: -227.402
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: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -2419.085860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.085860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.085860 (E_RNA)
where:
Base-Base interactions energy: -1658.594
where: short stacking energy: -698.477
Base-Backbone interact. energy: -1.464
local terms energy: -759.027825
where:
bonds (distance) C4'-P energy: -131.987
bonds (distance) P-C4' energy: -161.446
flat angles C4'-P-C4' energy: -156.755
flat angles P-C4'-P energy: -110.300
tors. eta vs tors. theta energy: -198.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -2326.012651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.012651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.012651 (E_RNA)
where:
Base-Base interactions energy: -1585.424
where: short stacking energy: -708.574
Base-Backbone interact. energy: -4.316
local terms energy: -736.273559
where:
bonds (distance) C4'-P energy: -123.649
bonds (distance) P-C4' energy: -120.518
flat angles C4'-P-C4' energy: -161.066
flat angles P-C4'-P energy: -110.357
tors. eta vs tors. theta energy: -220.683
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: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -2139.268473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.268473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.268473 (E_RNA)
where:
Base-Base interactions energy: -1419.162
where: short stacking energy: -616.826
Base-Backbone interact. energy: -3.041
local terms energy: -717.065125
where:
bonds (distance) C4'-P energy: -135.995
bonds (distance) P-C4' energy: -140.418
flat angles C4'-P-C4' energy: -162.124
flat angles P-C4'-P energy: -100.768
tors. eta vs tors. theta energy: -177.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1994.489173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.489173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.489173 (E_RNA)
where:
Base-Base interactions energy: -1327.028
where: short stacking energy: -537.787
Base-Backbone interact. energy: -5.878
local terms energy: -661.582454
where:
bonds (distance) C4'-P energy: -121.504
bonds (distance) P-C4' energy: -131.215
flat angles C4'-P-C4' energy: -156.869
flat angles P-C4'-P energy: -90.087
tors. eta vs tors. theta energy: -161.907
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: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1702.021264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.021264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.021264 (E_RNA)
where:
Base-Base interactions energy: -1091.933
where: short stacking energy: -476.114
Base-Backbone interact. energy: -5.193
local terms energy: -604.895758
where:
bonds (distance) C4'-P energy: -143.261
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -136.610
flat angles P-C4'-P energy: -89.508
tors. eta vs tors. theta energy: -119.166
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: 153
Temperature: 1.200000
Total energy: -1405.535990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.535990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.535990 (E_RNA)
where:
Base-Base interactions energy: -859.600
where: short stacking energy: -400.536
Base-Backbone interact. energy: 1.560
local terms energy: -547.495517
where:
bonds (distance) C4'-P energy: -114.159
bonds (distance) P-C4' energy: -131.562
flat angles C4'-P-C4' energy: -135.269
flat angles P-C4'-P energy: -91.534
tors. eta vs tors. theta energy: -74.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1159.668523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.668523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.668523 (E_RNA)
where:
Base-Base interactions energy: -684.650
where: short stacking energy: -331.387
Base-Backbone interact. energy: 0.534
local terms energy: -475.552594
where:
bonds (distance) C4'-P energy: -129.921
bonds (distance) P-C4' energy: -128.268
flat angles C4'-P-C4' energy: -111.182
flat angles P-C4'-P energy: -62.054
tors. eta vs tors. theta energy: -44.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -830.724401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.724401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.724401 (E_RNA)
where:
Base-Base interactions energy: -413.113
where: short stacking energy: -219.245
Base-Backbone interact. energy: -2.993
local terms energy: -414.618495
where:
bonds (distance) C4'-P energy: -106.594
bonds (distance) P-C4' energy: -131.224
flat angles C4'-P-C4' energy: -122.028
flat angles P-C4'-P energy: -47.623
tors. eta vs tors. theta energy: -7.149
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: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -665.896888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.896888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.896888 (E_RNA)
where:
Base-Base interactions energy: -270.327
where: short stacking energy: -175.517
Base-Backbone interact. energy: 1.851
local terms energy: -397.420587
where:
bonds (distance) C4'-P energy: -147.588
bonds (distance) P-C4' energy: -112.455
flat angles C4'-P-C4' energy: -102.326
flat angles P-C4'-P energy: -57.519
tors. eta vs tors. theta energy: 22.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2605.767631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.767631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.767631 (E_RNA)
where:
Base-Base interactions energy: -1777.111
where: short stacking energy: -753.092
Base-Backbone interact. energy: -4.259
local terms energy: -824.397301
where:
bonds (distance) C4'-P energy: -154.845
bonds (distance) P-C4' energy: -154.681
flat angles C4'-P-C4' energy: -162.624
flat angles P-C4'-P energy: -117.820
tors. eta vs tors. theta energy: -234.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -2396.251155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.251155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.251155 (E_RNA)
where:
Base-Base interactions energy: -1639.264
where: short stacking energy: -675.576
Base-Backbone interact. energy: -3.247
local terms energy: -753.739385
where:
bonds (distance) C4'-P energy: -136.080
bonds (distance) P-C4' energy: -132.998
flat angles C4'-P-C4' energy: -167.372
flat angles P-C4'-P energy: -121.397
tors. eta vs tors. theta energy: -195.892
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: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -2338.412918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.412918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.412918 (E_RNA)
where:
Base-Base interactions energy: -1571.566
where: short stacking energy: -689.712
Base-Backbone interact. energy: -3.036
local terms energy: -763.811261
where:
bonds (distance) C4'-P energy: -142.977
bonds (distance) P-C4' energy: -144.849
flat angles C4'-P-C4' energy: -179.124
flat angles P-C4'-P energy: -105.758
tors. eta vs tors. theta energy: -191.103
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: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -2194.991227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.991227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.991227 (E_RNA)
where:
Base-Base interactions energy: -1433.231
where: short stacking energy: -637.468
Base-Backbone interact. energy: -0.925
local terms energy: -760.835276
where:
bonds (distance) C4'-P energy: -143.399
bonds (distance) P-C4' energy: -150.907
flat angles C4'-P-C4' energy: -168.308
flat angles P-C4'-P energy: -100.634
tors. eta vs tors. theta energy: -197.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1939.876493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.876493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.876493 (E_RNA)
where:
Base-Base interactions energy: -1309.034
where: short stacking energy: -558.620
Base-Backbone interact. energy: 1.468
local terms energy: -632.310496
where:
bonds (distance) C4'-P energy: -124.895
bonds (distance) P-C4' energy: -117.029
flat angles C4'-P-C4' energy: -156.702
flat angles P-C4'-P energy: -95.925
tors. eta vs tors. theta energy: -137.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1705.645229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.645229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.645229 (E_RNA)
where:
Base-Base interactions energy: -1111.278
where: short stacking energy: -462.148
Base-Backbone interact. energy: -2.060
local terms energy: -592.306505
where:
bonds (distance) C4'-P energy: -118.016
bonds (distance) P-C4' energy: -134.659
flat angles C4'-P-C4' energy: -145.254
flat angles P-C4'-P energy: -88.933
tors. eta vs tors. theta energy: -105.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1315.060449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.060449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.060449 (E_RNA)
where:
Base-Base interactions energy: -797.264
where: short stacking energy: -424.196
Base-Backbone interact. energy: -0.468
local terms energy: -517.327934
where:
bonds (distance) C4'-P energy: -133.027
bonds (distance) P-C4' energy: -119.577
flat angles C4'-P-C4' energy: -135.296
flat angles P-C4'-P energy: -56.895
tors. eta vs tors. theta energy: -72.533
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: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1177.198539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.198539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.198539 (E_RNA)
where:
Base-Base interactions energy: -702.506
where: short stacking energy: -320.090
Base-Backbone interact. energy: -2.739
local terms energy: -471.953136
where:
bonds (distance) C4'-P energy: -123.661
bonds (distance) P-C4' energy: -142.604
flat angles C4'-P-C4' energy: -112.720
flat angles P-C4'-P energy: -63.871
tors. eta vs tors. theta energy: -29.097
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: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -852.575793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.575793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.575793 (E_RNA)
where:
Base-Base interactions energy: -429.524
where: short stacking energy: -244.082
Base-Backbone interact. energy: -0.411
local terms energy: -422.641447
where:
bonds (distance) C4'-P energy: -131.244
bonds (distance) P-C4' energy: -119.948
flat angles C4'-P-C4' energy: -94.418
flat angles P-C4'-P energy: -70.344
tors. eta vs tors. theta energy: -6.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -660.853926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.853926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.853926 (E_RNA)
where:
Base-Base interactions energy: -279.462
where: short stacking energy: -160.572
Base-Backbone interact. energy: -3.011
local terms energy: -378.380820
where:
bonds (distance) C4'-P energy: -129.571
bonds (distance) P-C4' energy: -128.322
flat angles C4'-P-C4' energy: -92.416
flat angles P-C4'-P energy: -67.553
tors. eta vs tors. theta energy: 39.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2607.211133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2607.211133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2607.211133 (E_RNA)
where:
Base-Base interactions energy: -1789.283
where: short stacking energy: -752.479
Base-Backbone interact. energy: -4.079
local terms energy: -813.849266
where:
bonds (distance) C4'-P energy: -146.621
bonds (distance) P-C4' energy: -149.078
flat angles C4'-P-C4' energy: -174.138
flat angles P-C4'-P energy: -118.754
tors. eta vs tors. theta energy: -225.258
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: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -2393.799229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.799229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.799229 (E_RNA)
where:
Base-Base interactions energy: -1610.184
where: short stacking energy: -706.453
Base-Backbone interact. energy: -2.460
local terms energy: -781.155347
where:
bonds (distance) C4'-P energy: -148.983
bonds (distance) P-C4' energy: -138.289
flat angles C4'-P-C4' energy: -165.942
flat angles P-C4'-P energy: -105.686
tors. eta vs tors. theta energy: -222.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -2348.129626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.129626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.129626 (E_RNA)
where:
Base-Base interactions energy: -1575.991
where: short stacking energy: -665.521
Base-Backbone interact. energy: -3.582
local terms energy: -768.556520
where:
bonds (distance) C4'-P energy: -135.802
bonds (distance) P-C4' energy: -153.814
flat angles C4'-P-C4' energy: -166.894
flat angles P-C4'-P energy: -119.018
tors. eta vs tors. theta energy: -193.028
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -2153.280274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.280274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.280274 (E_RNA)
where:
Base-Base interactions energy: -1445.456
where: short stacking energy: -647.075
Base-Backbone interact. energy: -0.623
local terms energy: -707.201282
where:
bonds (distance) C4'-P energy: -121.993
bonds (distance) P-C4' energy: -127.518
flat angles C4'-P-C4' energy: -154.344
flat angles P-C4'-P energy: -107.563
tors. eta vs tors. theta energy: -195.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1946.304093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.304093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.304093 (E_RNA)
where:
Base-Base interactions energy: -1313.100
where: short stacking energy: -540.435
Base-Backbone interact. energy: -2.220
local terms energy: -630.984530
where:
bonds (distance) C4'-P energy: -129.507
bonds (distance) P-C4' energy: -118.643
flat angles C4'-P-C4' energy: -145.922
flat angles P-C4'-P energy: -87.176
tors. eta vs tors. theta energy: -149.737
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: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1708.291306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.291306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.291306 (E_RNA)
where:
Base-Base interactions energy: -1114.876
where: short stacking energy: -477.203
Base-Backbone interact. energy: -3.898
local terms energy: -589.517661
where:
bonds (distance) C4'-P energy: -132.358
bonds (distance) P-C4' energy: -134.272
flat angles C4'-P-C4' energy: -135.888
flat angles P-C4'-P energy: -74.979
tors. eta vs tors. theta energy: -112.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1371.165168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.165168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.165168 (E_RNA)
where:
Base-Base interactions energy: -774.805
where: short stacking energy: -395.692
Base-Backbone interact. energy: -0.697
local terms energy: -595.662484
where:
bonds (distance) C4'-P energy: -142.540
bonds (distance) P-C4' energy: -141.181
flat angles C4'-P-C4' energy: -145.412
flat angles P-C4'-P energy: -76.469
tors. eta vs tors. theta energy: -90.060
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: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1158.869587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.869587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.869587 (E_RNA)
where:
Base-Base interactions energy: -675.596
where: short stacking energy: -325.020
Base-Backbone interact. energy: -2.495
local terms energy: -480.778308
where:
bonds (distance) C4'-P energy: -133.611
bonds (distance) P-C4' energy: -121.352
flat angles C4'-P-C4' energy: -116.701
flat angles P-C4'-P energy: -53.425
tors. eta vs tors. theta energy: -55.690
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -834.761263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.761263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.761263 (E_RNA)
where:
Base-Base interactions energy: -427.833
where: short stacking energy: -245.288
Base-Backbone interact. energy: -1.859
local terms energy: -405.069104
where:
bonds (distance) C4'-P energy: -112.591
bonds (distance) P-C4' energy: -128.321
flat angles C4'-P-C4' energy: -90.335
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -636.217755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.217755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.217755 (E_RNA)
where:
Base-Base interactions energy: -274.164
where: short stacking energy: -174.914
Base-Backbone interact. energy: -0.391
local terms energy: -361.662821
where:
bonds (distance) C4'-P energy: -114.401
bonds (distance) P-C4' energy: -133.619
flat angles C4'-P-C4' energy: -109.446
flat angles P-C4'-P energy: -41.784
tors. eta vs tors. theta energy: 37.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2604.356130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.356130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.356130 (E_RNA)
where:
Base-Base interactions energy: -1780.898
where: short stacking energy: -713.810
Base-Backbone interact. energy: -1.852
local terms energy: -821.605466
where:
bonds (distance) C4'-P energy: -154.598
bonds (distance) P-C4' energy: -151.736
flat angles C4'-P-C4' energy: -177.874
flat angles P-C4'-P energy: -112.744
tors. eta vs tors. theta energy: -224.653
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: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -2385.319088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.319088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.319088 (E_RNA)
where:
Base-Base interactions energy: -1595.512
where: short stacking energy: -701.992
Base-Backbone interact. energy: 0.337
local terms energy: -790.143814
where:
bonds (distance) C4'-P energy: -157.915
bonds (distance) P-C4' energy: -140.736
flat angles C4'-P-C4' energy: -160.310
flat angles P-C4'-P energy: -116.536
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: 3
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -2367.543975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.543975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.543975 (E_RNA)
where:
Base-Base interactions energy: -1616.445
where: short stacking energy: -649.816
Base-Backbone interact. energy: -3.769
local terms energy: -747.330163
where:
bonds (distance) C4'-P energy: -150.505
bonds (distance) P-C4' energy: -155.958
flat angles C4'-P-C4' energy: -157.032
flat angles P-C4'-P energy: -100.547
tors. eta vs tors. theta energy: -183.289
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -2149.468131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.468131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.468131 (E_RNA)
where:
Base-Base interactions energy: -1438.288
where: short stacking energy: -623.407
Base-Backbone interact. energy: -0.986
local terms energy: -710.194160
where:
bonds (distance) C4'-P energy: -136.594
bonds (distance) P-C4' energy: -137.727
flat angles C4'-P-C4' energy: -150.641
flat angles P-C4'-P energy: -100.571
tors. eta vs tors. theta energy: -184.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1970.150914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.150914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.150914 (E_RNA)
where:
Base-Base interactions energy: -1349.763
where: short stacking energy: -538.575
Base-Backbone interact. energy: -1.480
local terms energy: -618.907923
where:
bonds (distance) C4'-P energy: -112.205
bonds (distance) P-C4' energy: -134.675
flat angles C4'-P-C4' energy: -145.364
flat angles P-C4'-P energy: -90.994
tors. eta vs tors. theta energy: -135.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1730.548613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.548613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.548613 (E_RNA)
where:
Base-Base interactions energy: -1123.966
where: short stacking energy: -478.320
Base-Backbone interact. energy: 11.300
local terms energy: -617.882207
where:
bonds (distance) C4'-P energy: -138.809
bonds (distance) P-C4' energy: -145.042
flat angles C4'-P-C4' energy: -135.363
flat angles P-C4'-P energy: -87.347
tors. eta vs tors. theta energy: -111.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1362.213959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.213959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.213959 (E_RNA)
where:
Base-Base interactions energy: -794.647
where: short stacking energy: -409.291
Base-Backbone interact. energy: -1.811
local terms energy: -565.755358
where:
bonds (distance) C4'-P energy: -132.711
bonds (distance) P-C4' energy: -136.810
flat angles C4'-P-C4' energy: -143.735
flat angles P-C4'-P energy: -77.927
tors. eta vs tors. theta energy: -74.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1225.178537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.178537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.178537 (E_RNA)
where:
Base-Base interactions energy: -709.845
where: short stacking energy: -355.845
Base-Backbone interact. energy: 0.770
local terms energy: -516.103198
where:
bonds (distance) C4'-P energy: -138.538
bonds (distance) P-C4' energy: -141.824
flat angles C4'-P-C4' energy: -95.157
flat angles P-C4'-P energy: -70.360
tors. eta vs tors. theta energy: -70.225
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: 156
Temperature: 1.300000
Total energy: -789.003891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.003891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.003891 (E_RNA)
where:
Base-Base interactions energy: -357.358
where: short stacking energy: -233.731
Base-Backbone interact. energy: 3.268
local terms energy: -434.913334
where:
bonds (distance) C4'-P energy: -124.091
bonds (distance) P-C4' energy: -134.145
flat angles C4'-P-C4' energy: -93.600
flat angles P-C4'-P energy: -74.095
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -621.880887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.880887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.880887 (E_RNA)
where:
Base-Base interactions energy: -263.087
where: short stacking energy: -177.073
Base-Backbone interact. energy: 0.660
local terms energy: -359.453976
where:
bonds (distance) C4'-P energy: -138.323
bonds (distance) P-C4' energy: -116.875
flat angles C4'-P-C4' energy: -78.853
flat angles P-C4'-P energy: -47.447
tors. eta vs tors. theta energy: 22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2617.351543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.351543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.351543 (E_RNA)
where:
Base-Base interactions energy: -1786.889
where: short stacking energy: -745.499
Base-Backbone interact. energy: -3.894
local terms energy: -826.568522
where:
bonds (distance) C4'-P energy: -152.645
bonds (distance) P-C4' energy: -158.117
flat angles C4'-P-C4' energy: -170.901
flat angles P-C4'-P energy: -123.052
tors. eta vs tors. theta energy: -221.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -2393.229717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.229717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.229717 (E_RNA)
where:
Base-Base interactions energy: -1608.030
where: short stacking energy: -706.485
Base-Backbone interact. energy: -2.638
local terms energy: -782.562140
where:
bonds (distance) C4'-P energy: -144.274
bonds (distance) P-C4' energy: -150.695
flat angles C4'-P-C4' energy: -165.323
flat angles P-C4'-P energy: -115.449
tors. eta vs tors. theta energy: -206.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -2362.841065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.841065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.841065 (E_RNA)
where:
Base-Base interactions energy: -1626.228
where: short stacking energy: -654.880
Base-Backbone interact. energy: -0.841
local terms energy: -735.772085
where:
bonds (distance) C4'-P energy: -151.223
bonds (distance) P-C4' energy: -147.659
flat angles C4'-P-C4' energy: -154.108
flat angles P-C4'-P energy: -101.381
tors. eta vs tors. theta energy: -181.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -2169.219434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.219434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.219434 (E_RNA)
where:
Base-Base interactions energy: -1464.935
where: short stacking energy: -628.819
Base-Backbone interact. energy: 1.869
local terms energy: -706.153303
where:
bonds (distance) C4'-P energy: -130.371
bonds (distance) P-C4' energy: -143.695
flat angles C4'-P-C4' energy: -151.182
flat angles P-C4'-P energy: -91.006
tors. eta vs tors. theta energy: -189.900
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: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1931.488345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.488345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.488345 (E_RNA)
where:
Base-Base interactions energy: -1306.914
where: short stacking energy: -546.403
Base-Backbone interact. energy: 5.643
local terms energy: -630.217237
where:
bonds (distance) C4'-P energy: -132.749
bonds (distance) P-C4' energy: -135.269
flat angles C4'-P-C4' energy: -125.239
flat angles P-C4'-P energy: -99.255
tors. eta vs tors. theta energy: -137.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1706.863946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.863946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.863946 (E_RNA)
where:
Base-Base interactions energy: -1092.630
where: short stacking energy: -448.023
Base-Backbone interact. energy: -2.821
local terms energy: -611.412877
where:
bonds (distance) C4'-P energy: -149.259
bonds (distance) P-C4' energy: -126.639
flat angles C4'-P-C4' energy: -142.450
flat angles P-C4'-P energy: -76.461
tors. eta vs tors. theta energy: -116.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1363.936978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.936978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.936978 (E_RNA)
where:
Base-Base interactions energy: -832.035
where: short stacking energy: -436.348
Base-Backbone interact. energy: -2.160
local terms energy: -529.741257
where:
bonds (distance) C4'-P energy: -108.493
bonds (distance) P-C4' energy: -122.933
flat angles C4'-P-C4' energy: -126.010
flat angles P-C4'-P energy: -85.553
tors. eta vs tors. theta energy: -86.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1143.356482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.356482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.356482 (E_RNA)
where:
Base-Base interactions energy: -657.836
where: short stacking energy: -318.522
Base-Backbone interact. energy: 2.260
local terms energy: -487.780783
where:
bonds (distance) C4'-P energy: -128.922
bonds (distance) P-C4' energy: -130.923
flat angles C4'-P-C4' energy: -104.819
flat angles P-C4'-P energy: -74.621
tors. eta vs tors. theta energy: -48.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -795.381167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.381167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.381167 (E_RNA)
where:
Base-Base interactions energy: -401.591
where: short stacking energy: -223.762
Base-Backbone interact. energy: 2.262
local terms energy: -396.051534
where:
bonds (distance) C4'-P energy: -128.590
bonds (distance) P-C4' energy: -113.490
flat angles C4'-P-C4' energy: -115.830
flat angles P-C4'-P energy: -44.150
tors. eta vs tors. theta energy: 6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -716.468247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.468247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.468247 (E_RNA)
where:
Base-Base interactions energy: -338.019
where: short stacking energy: -207.677
Base-Backbone interact. energy: 5.289
local terms energy: -383.737431
where:
bonds (distance) C4'-P energy: -108.456
bonds (distance) P-C4' energy: -111.688
flat angles C4'-P-C4' energy: -103.641
flat angles P-C4'-P energy: -70.109
tors. eta vs tors. theta energy: 10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2620.551501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.551501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.551501 (E_RNA)
where:
Base-Base interactions energy: -1775.471
where: short stacking energy: -751.125
Base-Backbone interact. energy: 0.367
local terms energy: -845.447957
where:
bonds (distance) C4'-P energy: -154.111
bonds (distance) P-C4' energy: -176.476
flat angles C4'-P-C4' energy: -175.762
flat angles P-C4'-P energy: -104.415
tors. eta vs tors. theta energy: -234.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -2349.670293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.670293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.670293 (E_RNA)
where:
Base-Base interactions energy: -1572.000
where: short stacking energy: -676.002
Base-Backbone interact. energy: -2.321
local terms energy: -775.349244
where:
bonds (distance) C4'-P energy: -147.520
bonds (distance) P-C4' energy: -148.395
flat angles C4'-P-C4' energy: -167.388
flat angles P-C4'-P energy: -110.939
tors. eta vs tors. theta energy: -201.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -2359.830765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.830765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.830765 (E_RNA)
where:
Base-Base interactions energy: -1625.042
where: short stacking energy: -657.155
Base-Backbone interact. energy: -3.212
local terms energy: -731.576742
where:
bonds (distance) C4'-P energy: -133.422
bonds (distance) P-C4' energy: -132.844
flat angles C4'-P-C4' energy: -165.462
flat angles P-C4'-P energy: -111.854
tors. eta vs tors. theta energy: -187.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -2233.448239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.448239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.448239 (E_RNA)
where:
Base-Base interactions energy: -1510.573
where: short stacking energy: -647.890
Base-Backbone interact. energy: -0.396
local terms energy: -722.479612
where:
bonds (distance) C4'-P energy: -134.587
bonds (distance) P-C4' energy: -147.076
flat angles C4'-P-C4' energy: -146.207
flat angles P-C4'-P energy: -98.853
tors. eta vs tors. theta energy: -195.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1991.136323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.136323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.136323 (E_RNA)
where:
Base-Base interactions energy: -1331.820
where: short stacking energy: -559.541
Base-Backbone interact. energy: 1.815
local terms energy: -661.131607
where:
bonds (distance) C4'-P energy: -129.354
bonds (distance) P-C4' energy: -150.259
flat angles C4'-P-C4' energy: -142.196
flat angles P-C4'-P energy: -87.152
tors. eta vs tors. theta energy: -152.171
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: 6, replica: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1628.134436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.134436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.134436 (E_RNA)
where:
Base-Base interactions energy: -1044.768
where: short stacking energy: -423.600
Base-Backbone interact. energy: 0.709
local terms energy: -584.074896
where:
bonds (distance) C4'-P energy: -131.950
bonds (distance) P-C4' energy: -128.919
flat angles C4'-P-C4' energy: -148.377
flat angles P-C4'-P energy: -89.043
tors. eta vs tors. theta energy: -85.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1369.410874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.410874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.410874 (E_RNA)
where:
Base-Base interactions energy: -824.712
where: short stacking energy: -418.959
Base-Backbone interact. energy: 0.343
local terms energy: -545.041819
where:
bonds (distance) C4'-P energy: -109.673
bonds (distance) P-C4' energy: -110.427
flat angles C4'-P-C4' energy: -152.059
flat angles P-C4'-P energy: -90.750
tors. eta vs tors. theta energy: -82.133
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: 7
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1180.695723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.695723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.695723 (E_RNA)
where:
Base-Base interactions energy: -702.958
where: short stacking energy: -314.221
Base-Backbone interact. energy: 1.525
local terms energy: -479.262125
where:
bonds (distance) C4'-P energy: -114.786
bonds (distance) P-C4' energy: -122.536
flat angles C4'-P-C4' energy: -115.449
flat angles P-C4'-P energy: -82.884
tors. eta vs tors. theta energy: -43.607
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: 158
Temperature: 1.300000
Total energy: -752.059738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.059738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.059738 (E_RNA)
where:
Base-Base interactions energy: -354.096
where: short stacking energy: -211.903
Base-Backbone interact. energy: 3.270
local terms energy: -401.233829
where:
bonds (distance) C4'-P energy: -100.989
bonds (distance) P-C4' energy: -132.591
flat angles C4'-P-C4' energy: -111.995
flat angles P-C4'-P energy: -56.649
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -633.276573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.276573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.276573 (E_RNA)
where:
Base-Base interactions energy: -247.932
where: short stacking energy: -170.342
Base-Backbone interact. energy: 1.444
local terms energy: -386.787784
where:
bonds (distance) C4'-P energy: -116.685
bonds (distance) P-C4' energy: -140.618
flat angles C4'-P-C4' energy: -101.592
flat angles P-C4'-P energy: -50.663
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: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2596.137287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.137287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.137287 (E_RNA)
where:
Base-Base interactions energy: -1782.741
where: short stacking energy: -740.475
Base-Backbone interact. energy: -1.094
local terms energy: -812.303125
where:
bonds (distance) C4'-P energy: -155.660
bonds (distance) P-C4' energy: -152.344
flat angles C4'-P-C4' energy: -174.327
flat angles P-C4'-P energy: -111.033
tors. eta vs tors. theta energy: -218.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -2378.807401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.807401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.807401 (E_RNA)
where:
Base-Base interactions energy: -1608.173
where: short stacking energy: -678.481
Base-Backbone interact. energy: -3.432
local terms energy: -767.203239
where:
bonds (distance) C4'-P energy: -144.988
bonds (distance) P-C4' energy: -143.990
flat angles C4'-P-C4' energy: -159.426
flat angles P-C4'-P energy: -129.063
tors. eta vs tors. theta energy: -189.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -2342.424955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.424955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.424955 (E_RNA)
where:
Base-Base interactions energy: -1615.175
where: short stacking energy: -616.716
Base-Backbone interact. energy: -5.718
local terms energy: -721.532254
where:
bonds (distance) C4'-P energy: -131.051
bonds (distance) P-C4' energy: -150.973
flat angles C4'-P-C4' energy: -148.020
flat angles P-C4'-P energy: -109.738
tors. eta vs tors. theta energy: -181.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -2213.287071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.287071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.287071 (E_RNA)
where:
Base-Base interactions energy: -1483.198
where: short stacking energy: -655.873
Base-Backbone interact. energy: -3.191
local terms energy: -726.897884
where:
bonds (distance) C4'-P energy: -124.649
bonds (distance) P-C4' energy: -144.516
flat angles C4'-P-C4' energy: -154.461
flat angles P-C4'-P energy: -98.995
tors. eta vs tors. theta energy: -204.277
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: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1978.988447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.988447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.988447 (E_RNA)
where:
Base-Base interactions energy: -1305.652
where: short stacking energy: -556.181
Base-Backbone interact. energy: -2.663
local terms energy: -670.674194
where:
bonds (distance) C4'-P energy: -129.850
bonds (distance) P-C4' energy: -126.899
flat angles C4'-P-C4' energy: -154.133
flat angles P-C4'-P energy: -104.492
tors. eta vs tors. theta energy: -155.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1669.880022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.880022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.880022 (E_RNA)
where:
Base-Base interactions energy: -1116.476
where: short stacking energy: -476.671
Base-Backbone interact. energy: 5.571
local terms energy: -558.975121
where:
bonds (distance) C4'-P energy: -121.753
bonds (distance) P-C4' energy: -112.820
flat angles C4'-P-C4' energy: -133.735
flat angles P-C4'-P energy: -81.257
tors. eta vs tors. theta energy: -109.411
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: 10
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1450.498961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.498961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.498961 (E_RNA)
where:
Base-Base interactions energy: -886.664
where: short stacking energy: -435.028
Base-Backbone interact. energy: -3.375
local terms energy: -560.459447
where:
bonds (distance) C4'-P energy: -132.229
bonds (distance) P-C4' energy: -128.951
flat angles C4'-P-C4' energy: -136.361
flat angles P-C4'-P energy: -69.059
tors. eta vs tors. theta energy: -93.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1156.270127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.270127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.270127 (E_RNA)
where:
Base-Base interactions energy: -661.766
where: short stacking energy: -320.009
Base-Backbone interact. energy: -1.146
local terms energy: -493.358664
where:
bonds (distance) C4'-P energy: -125.220
bonds (distance) P-C4' energy: -126.434
flat angles C4'-P-C4' energy: -140.997
flat angles P-C4'-P energy: -63.549
tors. eta vs tors. theta energy: -37.159
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: 159
Temperature: 1.300000
Total energy: -690.000756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.000756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.000756 (E_RNA)
where:
Base-Base interactions energy: -288.619
where: short stacking energy: -157.390
Base-Backbone interact. energy: -2.018
local terms energy: -399.363638
where:
bonds (distance) C4'-P energy: -105.145
bonds (distance) P-C4' energy: -143.402
flat angles C4'-P-C4' energy: -118.025
flat angles P-C4'-P energy: -47.850
tors. eta vs tors. theta energy: 15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -643.900885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.900885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.900885 (E_RNA)
where:
Base-Base interactions energy: -255.165
where: short stacking energy: -159.032
Base-Backbone interact. energy: -1.044
local terms energy: -387.692355
where:
bonds (distance) C4'-P energy: -130.558
bonds (distance) P-C4' energy: -125.874
flat angles C4'-P-C4' energy: -92.309
flat angles P-C4'-P energy: -55.481
tors. eta vs tors. theta energy: 16.530
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: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2617.432039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.432039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.432039 (E_RNA)
where:
Base-Base interactions energy: -1786.820
where: short stacking energy: -747.999
Base-Backbone interact. energy: 0.653
local terms energy: -831.265087
where:
bonds (distance) C4'-P energy: -156.154
bonds (distance) P-C4' energy: -155.662
flat angles C4'-P-C4' energy: -175.110
flat angles P-C4'-P energy: -113.968
tors. eta vs tors. theta energy: -230.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -2392.985860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.985860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.985860 (E_RNA)
where:
Base-Base interactions energy: -1622.382
where: short stacking energy: -719.539
Base-Backbone interact. energy: -6.501
local terms energy: -764.102878
where:
bonds (distance) C4'-P energy: -138.104
bonds (distance) P-C4' energy: -156.140
flat angles C4'-P-C4' energy: -154.520
flat angles P-C4'-P energy: -107.819
tors. eta vs tors. theta energy: -207.519
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: 3, replica: 3
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -2374.836477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.836477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.836477 (E_RNA)
where:
Base-Base interactions energy: -1612.147
where: short stacking energy: -661.283
Base-Backbone interact. energy: -1.588
local terms energy: -761.101404
where:
bonds (distance) C4'-P energy: -134.528
bonds (distance) P-C4' energy: -144.297
flat angles C4'-P-C4' energy: -175.157
flat angles P-C4'-P energy: -111.376
tors. eta vs tors. theta energy: -195.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -2225.008262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.008262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.008262 (E_RNA)
where:
Base-Base interactions energy: -1512.677
where: short stacking energy: -666.857
Base-Backbone interact. energy: -1.280
local terms energy: -711.052099
where:
bonds (distance) C4'-P energy: -134.208
bonds (distance) P-C4' energy: -133.040
flat angles C4'-P-C4' energy: -136.671
flat angles P-C4'-P energy: -114.305
tors. eta vs tors. theta energy: -192.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1941.726116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.726116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.726116 (E_RNA)
where:
Base-Base interactions energy: -1301.720
where: short stacking energy: -578.384
Base-Backbone interact. energy: -3.318
local terms energy: -636.687732
where:
bonds (distance) C4'-P energy: -122.492
bonds (distance) P-C4' energy: -115.446
flat angles C4'-P-C4' energy: -140.915
flat angles P-C4'-P energy: -100.369
tors. eta vs tors. theta energy: -157.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1669.970397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.970397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.970397 (E_RNA)
where:
Base-Base interactions energy: -1091.169
where: short stacking energy: -439.758
Base-Backbone interact. energy: -1.125
local terms energy: -577.676981
where:
bonds (distance) C4'-P energy: -127.713
bonds (distance) P-C4' energy: -138.375
flat angles C4'-P-C4' energy: -127.729
flat angles P-C4'-P energy: -83.338
tors. eta vs tors. theta energy: -100.522
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: 7, replica: 10
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1447.008061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.008061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.008061 (E_RNA)
where:
Base-Base interactions energy: -900.385
where: short stacking energy: -408.830
Base-Backbone interact. energy: -2.137
local terms energy: -544.486240
where:
bonds (distance) C4'-P energy: -107.548
bonds (distance) P-C4' energy: -156.546
flat angles C4'-P-C4' energy: -124.203
flat angles P-C4'-P energy: -71.467
tors. eta vs tors. theta energy: -84.722
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: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1132.465295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.465295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.465295 (E_RNA)
where:
Base-Base interactions energy: -641.980
where: short stacking energy: -326.352
Base-Backbone interact. energy: 1.213
local terms energy: -491.698680
where:
bonds (distance) C4'-P energy: -124.661
bonds (distance) P-C4' energy: -113.097
flat angles C4'-P-C4' energy: -119.643
flat angles P-C4'-P energy: -74.241
tors. eta vs tors. theta energy: -60.056
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: 9, replica: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -670.495109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.495109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.495109 (E_RNA)
where:
Base-Base interactions energy: -280.085
where: short stacking energy: -202.663
Base-Backbone interact. energy: -4.757
local terms energy: -385.653266
where:
bonds (distance) C4'-P energy: -106.859
bonds (distance) P-C4' energy: -135.510
flat angles C4'-P-C4' energy: -99.749
flat angles P-C4'-P energy: -53.943
tors. eta vs tors. theta energy: 10.409
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: 160
Temperature: 1.350000
Total energy: -651.088852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.088852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.088852 (E_RNA)
where:
Base-Base interactions energy: -289.474
where: short stacking energy: -165.040
Base-Backbone interact. energy: 0.799
local terms energy: -362.413597
where:
bonds (distance) C4'-P energy: -136.418
bonds (distance) P-C4' energy: -125.126
flat angles C4'-P-C4' energy: -83.479
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: 50.260
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: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2598.570749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.570749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.570749 (E_RNA)
where:
Base-Base interactions energy: -1787.786
where: short stacking energy: -733.462
Base-Backbone interact. energy: -3.200
local terms energy: -807.584717
where:
bonds (distance) C4'-P energy: -149.334
bonds (distance) P-C4' energy: -152.869
flat angles C4'-P-C4' energy: -170.305
flat angles P-C4'-P energy: -106.660
tors. eta vs tors. theta energy: -228.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -2474.441888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.441888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.441888 (E_RNA)
where:
Base-Base interactions energy: -1719.422
where: short stacking energy: -716.904
Base-Backbone interact. energy: -3.351
local terms energy: -751.668545
where:
bonds (distance) C4'-P energy: -150.841
bonds (distance) P-C4' energy: -132.483
flat angles C4'-P-C4' energy: -156.322
flat angles P-C4'-P energy: -98.129
tors. eta vs tors. theta energy: -213.894
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: 4
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -2347.568239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.568239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.568239 (E_RNA)
where:
Base-Base interactions energy: -1584.406
where: short stacking energy: -684.842
Base-Backbone interact. energy: -7.921
local terms energy: -755.241457
where:
bonds (distance) C4'-P energy: -134.659
bonds (distance) P-C4' energy: -140.227
flat angles C4'-P-C4' energy: -182.149
flat angles P-C4'-P energy: -105.777
tors. eta vs tors. theta energy: -192.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -2193.097305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2193.097305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2193.097305 (E_RNA)
where:
Base-Base interactions energy: -1460.864
where: short stacking energy: -609.820
Base-Backbone interact. energy: 0.885
local terms energy: -733.118026
where:
bonds (distance) C4'-P energy: -143.151
bonds (distance) P-C4' energy: -140.904
flat angles C4'-P-C4' energy: -147.653
flat angles P-C4'-P energy: -109.146
tors. eta vs tors. theta energy: -192.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1857.172746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.172746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.172746 (E_RNA)
where:
Base-Base interactions energy: -1206.745
where: short stacking energy: -505.919
Base-Backbone interact. energy: -2.356
local terms energy: -648.071868
where:
bonds (distance) C4'-P energy: -134.757
bonds (distance) P-C4' energy: -150.818
flat angles C4'-P-C4' energy: -153.840
flat angles P-C4'-P energy: -82.061
tors. eta vs tors. theta energy: -126.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1668.420687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.420687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.420687 (E_RNA)
where:
Base-Base interactions energy: -1073.072
where: short stacking energy: -446.496
Base-Backbone interact. energy: -0.224
local terms energy: -595.124360
where:
bonds (distance) C4'-P energy: -129.490
bonds (distance) P-C4' energy: -112.318
flat angles C4'-P-C4' energy: -151.275
flat angles P-C4'-P energy: -97.372
tors. eta vs tors. theta energy: -104.669
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: 7, replica: 10
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1538.918379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.918379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.918379 (E_RNA)
where:
Base-Base interactions energy: -962.722
where: short stacking energy: -432.715
Base-Backbone interact. energy: -3.738
local terms energy: -572.458745
where:
bonds (distance) C4'-P energy: -112.171
bonds (distance) P-C4' energy: -138.646
flat angles C4'-P-C4' energy: -144.839
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -99.303
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: 7
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1084.202559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.202559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.202559 (E_RNA)
where:
Base-Base interactions energy: -630.599
where: short stacking energy: -321.842
Base-Backbone interact. energy: 0.612
local terms energy: -454.215655
where:
bonds (distance) C4'-P energy: -120.809
bonds (distance) P-C4' energy: -123.264
flat angles C4'-P-C4' energy: -127.533
flat angles P-C4'-P energy: -60.946
tors. eta vs tors. theta energy: -21.664
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: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -724.864688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.864688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.864688 (E_RNA)
where:
Base-Base interactions energy: -309.596
where: short stacking energy: -179.417
Base-Backbone interact. energy: -0.609
local terms energy: -414.659981
where:
bonds (distance) C4'-P energy: -128.271
bonds (distance) P-C4' energy: -130.790
flat angles C4'-P-C4' energy: -120.547
flat angles P-C4'-P energy: -59.790
tors. eta vs tors. theta energy: 24.739
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: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -657.679270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.679270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.679270 (E_RNA)
where:
Base-Base interactions energy: -311.742
where: short stacking energy: -195.979
Base-Backbone interact. energy: 1.106
local terms energy: -347.043041
where:
bonds (distance) C4'-P energy: -110.854
bonds (distance) P-C4' energy: -114.540
flat angles C4'-P-C4' energy: -109.803
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: 15.528
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: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2621.730595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.730595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.730595 (E_RNA)
where:
Base-Base interactions energy: -1793.825
where: short stacking energy: -762.270
Base-Backbone interact. energy: -3.683
local terms energy: -824.222278
where:
bonds (distance) C4'-P energy: -148.243
bonds (distance) P-C4' energy: -156.377
flat angles C4'-P-C4' energy: -171.708
flat angles P-C4'-P energy: -120.090
tors. eta vs tors. theta energy: -227.804
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: 3
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -2441.912484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.912484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.912484 (E_RNA)
where:
Base-Base interactions energy: -1662.960
where: short stacking energy: -677.752
Base-Backbone interact. energy: -0.736
local terms energy: -778.216867
where:
bonds (distance) C4'-P energy: -151.802
bonds (distance) P-C4' energy: -147.568
flat angles C4'-P-C4' energy: -171.144
flat angles P-C4'-P energy: -113.728
tors. eta vs tors. theta energy: -193.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -2307.837713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.837713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.837713 (E_RNA)
where:
Base-Base interactions energy: -1544.543
where: short stacking energy: -653.322
Base-Backbone interact. energy: 3.175
local terms energy: -766.469699
where:
bonds (distance) C4'-P energy: -138.094
bonds (distance) P-C4' energy: -154.813
flat angles C4'-P-C4' energy: -168.062
flat angles P-C4'-P energy: -106.167
tors. eta vs tors. theta energy: -199.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -2200.135659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.135659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.135659 (E_RNA)
where:
Base-Base interactions energy: -1482.234
where: short stacking energy: -645.062
Base-Backbone interact. energy: -1.901
local terms energy: -716.000176
where:
bonds (distance) C4'-P energy: -107.832
bonds (distance) P-C4' energy: -141.726
flat angles C4'-P-C4' energy: -170.528
flat angles P-C4'-P energy: -100.776
tors. eta vs tors. theta energy: -195.137
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: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1974.251090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.251090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.251090 (E_RNA)
where:
Base-Base interactions energy: -1313.641
where: short stacking energy: -562.301
Base-Backbone interact. energy: -3.954
local terms energy: -656.656703
where:
bonds (distance) C4'-P energy: -127.582
bonds (distance) P-C4' energy: -134.019
flat angles C4'-P-C4' energy: -147.998
flat angles P-C4'-P energy: -94.263
tors. eta vs tors. theta energy: -152.795
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: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1642.350154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.350154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.350154 (E_RNA)
where:
Base-Base interactions energy: -1008.147
where: short stacking energy: -458.997
Base-Backbone interact. energy: -3.967
local terms energy: -630.236710
where:
bonds (distance) C4'-P energy: -144.740
bonds (distance) P-C4' energy: -146.030
flat angles C4'-P-C4' energy: -149.460
flat angles P-C4'-P energy: -73.137
tors. eta vs tors. theta energy: -116.870
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: 162
Temperature: 1.200000
Total energy: -1565.081263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.081263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.081263 (E_RNA)
where:
Base-Base interactions energy: -989.848
where: short stacking energy: -443.182
Base-Backbone interact. energy: -0.562
local terms energy: -574.672117
where:
bonds (distance) C4'-P energy: -104.992
bonds (distance) P-C4' energy: -153.438
flat angles C4'-P-C4' energy: -119.336
flat angles P-C4'-P energy: -96.682
tors. eta vs tors. theta energy: -100.223
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: 7
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1121.648405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.648405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.648405 (E_RNA)
where:
Base-Base interactions energy: -629.201
where: short stacking energy: -284.398
Base-Backbone interact. energy: 0.835
local terms energy: -493.282227
where:
bonds (distance) C4'-P energy: -131.654
bonds (distance) P-C4' energy: -134.203
flat angles C4'-P-C4' energy: -112.636
flat angles P-C4'-P energy: -82.167
tors. eta vs tors. theta energy: -32.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -726.385389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.385389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.385389 (E_RNA)
where:
Base-Base interactions energy: -313.463
where: short stacking energy: -204.752
Base-Backbone interact. energy: -0.413
local terms energy: -412.509184
where:
bonds (distance) C4'-P energy: -126.557
bonds (distance) P-C4' energy: -130.546
flat angles C4'-P-C4' energy: -113.067
flat angles P-C4'-P energy: -48.084
tors. eta vs tors. theta energy: 5.744
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: 1
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -623.031962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.031962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.031962 (E_RNA)
where:
Base-Base interactions energy: -273.898
where: short stacking energy: -162.848
Base-Backbone interact. energy: -1.407
local terms energy: -347.726551
where:
bonds (distance) C4'-P energy: -138.017
bonds (distance) P-C4' energy: -132.024
flat angles C4'-P-C4' energy: -79.617
flat angles P-C4'-P energy: -35.974
tors. eta vs tors. theta energy: 37.905
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: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2585.615110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.615110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.615110 (E_RNA)
where:
Base-Base interactions energy: -1770.497
where: short stacking energy: -747.747
Base-Backbone interact. energy: -0.895
local terms energy: -814.223343
where:
bonds (distance) C4'-P energy: -144.505
bonds (distance) P-C4' energy: -150.961
flat angles C4'-P-C4' energy: -172.762
flat angles P-C4'-P energy: -107.141
tors. eta vs tors. theta energy: -238.855
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: 3
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -2476.855884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2476.855884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2476.855884 (E_RNA)
where:
Base-Base interactions energy: -1680.131
where: short stacking energy: -678.159
Base-Backbone interact. energy: -3.437
local terms energy: -793.287136
where:
bonds (distance) C4'-P energy: -150.610
bonds (distance) P-C4' energy: -165.902
flat angles C4'-P-C4' energy: -160.259
flat angles P-C4'-P energy: -111.021
tors. eta vs tors. theta energy: -205.495
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: 3, replica: 4
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -2295.178857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.178857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.178857 (E_RNA)
where:
Base-Base interactions energy: -1522.115
where: short stacking energy: -668.546
Base-Backbone interact. energy: -5.142
local terms energy: -767.922042
where:
bonds (distance) C4'-P energy: -145.854
bonds (distance) P-C4' energy: -146.160
flat angles C4'-P-C4' energy: -169.439
flat angles P-C4'-P energy: -106.471
tors. eta vs tors. theta energy: -199.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -2187.594769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.594769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.594769 (E_RNA)
where:
Base-Base interactions energy: -1457.293
where: short stacking energy: -611.352
Base-Backbone interact. energy: 1.383
local terms energy: -731.685020
where:
bonds (distance) C4'-P energy: -136.734
bonds (distance) P-C4' energy: -135.753
flat angles C4'-P-C4' energy: -154.569
flat angles P-C4'-P energy: -99.828
tors. eta vs tors. theta energy: -204.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1993.681905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.681905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.681905 (E_RNA)
where:
Base-Base interactions energy: -1298.750
where: short stacking energy: -556.764
Base-Backbone interact. energy: -2.011
local terms energy: -692.921207
where:
bonds (distance) C4'-P energy: -133.432
bonds (distance) P-C4' energy: -150.916
flat angles C4'-P-C4' energy: -161.056
flat angles P-C4'-P energy: -95.647
tors. eta vs tors. theta energy: -151.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1732.473282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.473282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.473282 (E_RNA)
where:
Base-Base interactions energy: -1075.418
where: short stacking energy: -499.026
Base-Backbone interact. energy: 1.056
local terms energy: -658.111284
where:
bonds (distance) C4'-P energy: -132.915
bonds (distance) P-C4' energy: -129.376
flat angles C4'-P-C4' energy: -164.558
flat angles P-C4'-P energy: -101.843
tors. eta vs tors. theta energy: -129.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1601.523561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.523561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.523561 (E_RNA)
where:
Base-Base interactions energy: -1004.001
where: short stacking energy: -459.972
Base-Backbone interact. energy: -1.656
local terms energy: -595.866169
where:
bonds (distance) C4'-P energy: -134.302
bonds (distance) P-C4' energy: -134.151
flat angles C4'-P-C4' energy: -133.532
flat angles P-C4'-P energy: -73.538
tors. eta vs tors. theta energy: -120.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1145.672895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.672895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.672895 (E_RNA)
where:
Base-Base interactions energy: -669.223
where: short stacking energy: -302.584
Base-Backbone interact. energy: -0.579
local terms energy: -475.870195
where:
bonds (distance) C4'-P energy: -124.518
bonds (distance) P-C4' energy: -132.014
flat angles C4'-P-C4' energy: -114.378
flat angles P-C4'-P energy: -59.007
tors. eta vs tors. theta energy: -45.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -703.535970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.535970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.535970 (E_RNA)
where:
Base-Base interactions energy: -275.510
where: short stacking energy: -175.482
Base-Backbone interact. energy: 1.308
local terms energy: -429.333800
where:
bonds (distance) C4'-P energy: -132.390
bonds (distance) P-C4' energy: -147.751
flat angles C4'-P-C4' energy: -119.254
flat angles P-C4'-P energy: -49.428
tors. eta vs tors. theta energy: 19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -620.578841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.578841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.578841 (E_RNA)
where:
Base-Base interactions energy: -281.445
where: short stacking energy: -190.605
Base-Backbone interact. energy: -0.846
local terms energy: -338.287178
where:
bonds (distance) C4'-P energy: -101.762
bonds (distance) P-C4' energy: -112.290
flat angles C4'-P-C4' energy: -111.009
flat angles P-C4'-P energy: -50.660
tors. eta vs tors. theta energy: 37.433
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: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2623.840854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.840854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.840854 (E_RNA)
where:
Base-Base interactions energy: -1797.489
where: short stacking energy: -751.753
Base-Backbone interact. energy: 2.326
local terms energy: -828.677514
where:
bonds (distance) C4'-P energy: -164.689
bonds (distance) P-C4' energy: -154.039
flat angles C4'-P-C4' energy: -172.348
flat angles P-C4'-P energy: -114.549
tors. eta vs tors. theta energy: -223.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -2423.756716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.756716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.756716 (E_RNA)
where:
Base-Base interactions energy: -1656.735
where: short stacking energy: -679.156
Base-Backbone interact. energy: -0.399
local terms energy: -766.623002
where:
bonds (distance) C4'-P energy: -145.123
bonds (distance) P-C4' energy: -150.078
flat angles C4'-P-C4' energy: -168.376
flat angles P-C4'-P energy: -115.234
tors. eta vs tors. theta energy: -187.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -2302.557167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.557167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.557167 (E_RNA)
where:
Base-Base interactions energy: -1562.864
where: short stacking energy: -682.201
Base-Backbone interact. energy: -3.476
local terms energy: -736.217549
where:
bonds (distance) C4'-P energy: -129.548
bonds (distance) P-C4' energy: -126.302
flat angles C4'-P-C4' energy: -159.907
flat angles P-C4'-P energy: -109.251
tors. eta vs tors. theta energy: -211.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -2230.381141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.381141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.381141 (E_RNA)
where:
Base-Base interactions energy: -1485.045
where: short stacking energy: -659.657
Base-Backbone interact. energy: 0.616
local terms energy: -745.952383
where:
bonds (distance) C4'-P energy: -121.201
bonds (distance) P-C4' energy: -133.681
flat angles C4'-P-C4' energy: -171.933
flat angles P-C4'-P energy: -115.778
tors. eta vs tors. theta energy: -203.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -2026.206020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.206020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.206020 (E_RNA)
where:
Base-Base interactions energy: -1347.399
where: short stacking energy: -570.317
Base-Backbone interact. energy: -3.279
local terms energy: -675.528340
where:
bonds (distance) C4'-P energy: -131.350
bonds (distance) P-C4' energy: -145.957
flat angles C4'-P-C4' energy: -140.598
flat angles P-C4'-P energy: -100.290
tors. eta vs tors. theta energy: -157.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1574.757634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.757634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.757634 (E_RNA)
where:
Base-Base interactions energy: -990.302
where: short stacking energy: -407.121
Base-Backbone interact. energy: -5.172
local terms energy: -579.283069
where:
bonds (distance) C4'-P energy: -126.869
bonds (distance) P-C4' energy: -144.124
flat angles C4'-P-C4' energy: -134.062
flat angles P-C4'-P energy: -66.639
tors. eta vs tors. theta energy: -107.589
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1618.482078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.482078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.482078 (E_RNA)
where:
Base-Base interactions energy: -1037.473
where: short stacking energy: -458.076
Base-Backbone interact. energy: 5.722
local terms energy: -586.730910
where:
bonds (distance) C4'-P energy: -117.965
bonds (distance) P-C4' energy: -121.537
flat angles C4'-P-C4' energy: -143.446
flat angles P-C4'-P energy: -95.797
tors. eta vs tors. theta energy: -107.986
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: 7
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1151.198316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.198316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.198316 (E_RNA)
where:
Base-Base interactions energy: -643.354
where: short stacking energy: -306.344
Base-Backbone interact. energy: -0.397
local terms energy: -507.446743
where:
bonds (distance) C4'-P energy: -126.700
bonds (distance) P-C4' energy: -141.461
flat angles C4'-P-C4' energy: -121.170
flat angles P-C4'-P energy: -63.524
tors. eta vs tors. theta energy: -54.591
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: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -694.935347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.935347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.935347 (E_RNA)
where:
Base-Base interactions energy: -302.041
where: short stacking energy: -222.199
Base-Backbone interact. energy: -0.772
local terms energy: -392.123072
where:
bonds (distance) C4'-P energy: -97.707
bonds (distance) P-C4' energy: -125.026
flat angles C4'-P-C4' energy: -112.261
flat angles P-C4'-P energy: -57.449
tors. eta vs tors. theta energy: 0.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -660.125071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.125071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.125071 (E_RNA)
where:
Base-Base interactions energy: -291.304
where: short stacking energy: -209.297
Base-Backbone interact. energy: -1.324
local terms energy: -367.496565
where:
bonds (distance) C4'-P energy: -105.987
bonds (distance) P-C4' energy: -111.234
flat angles C4'-P-C4' energy: -98.125
flat angles P-C4'-P energy: -54.918
tors. eta vs tors. theta energy: 2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2629.571959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.571959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.571959 (E_RNA)
where:
Base-Base interactions energy: -1808.324
where: short stacking energy: -757.541
Base-Backbone interact. energy: -5.990
local terms energy: -815.257612
where:
bonds (distance) C4'-P energy: -150.374
bonds (distance) P-C4' energy: -155.907
flat angles C4'-P-C4' energy: -168.711
flat angles P-C4'-P energy: -115.395
tors. eta vs tors. theta energy: -224.871
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: 2, replica: 3
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -2438.492698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.492698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.492698 (E_RNA)
where:
Base-Base interactions energy: -1671.509
where: short stacking energy: -666.880
Base-Backbone interact. energy: -0.097
local terms energy: -766.886410
where:
bonds (distance) C4'-P energy: -133.752
bonds (distance) P-C4' energy: -149.764
flat angles C4'-P-C4' energy: -164.898
flat angles P-C4'-P energy: -121.360
tors. eta vs tors. theta energy: -197.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -2329.790014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.790014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.790014 (E_RNA)
where:
Base-Base interactions energy: -1556.393
where: short stacking energy: -652.250
Base-Backbone interact. energy: -2.076
local terms energy: -771.320536
where:
bonds (distance) C4'-P energy: -144.606
bonds (distance) P-C4' energy: -134.108
flat angles C4'-P-C4' energy: -180.341
flat angles P-C4'-P energy: -106.804
tors. eta vs tors. theta energy: -205.462
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: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -2252.235270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.235270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.235270 (E_RNA)
where:
Base-Base interactions energy: -1522.328
where: short stacking energy: -651.445
Base-Backbone interact. energy: 5.915
local terms energy: -735.822147
where:
bonds (distance) C4'-P energy: -143.308
bonds (distance) P-C4' energy: -157.637
flat angles C4'-P-C4' energy: -142.983
flat angles P-C4'-P energy: -86.404
tors. eta vs tors. theta energy: -205.491
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: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -2084.843200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.843200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.843200 (E_RNA)
where:
Base-Base interactions energy: -1372.874
where: short stacking energy: -582.744
Base-Backbone interact. energy: 0.748
local terms energy: -712.717972
where:
bonds (distance) C4'-P energy: -152.903
bonds (distance) P-C4' energy: -147.489
flat angles C4'-P-C4' energy: -143.448
flat angles P-C4'-P energy: -103.249
tors. eta vs tors. theta energy: -165.630
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: 10
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1702.781838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.781838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.781838 (E_RNA)
where:
Base-Base interactions energy: -1084.406
where: short stacking energy: -485.002
Base-Backbone interact. energy: 2.556
local terms energy: -620.931548
where:
bonds (distance) C4'-P energy: -138.886
bonds (distance) P-C4' energy: -144.138
flat angles C4'-P-C4' energy: -145.579
flat angles P-C4'-P energy: -77.447
tors. eta vs tors. theta energy: -114.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1482.414812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.414812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.414812 (E_RNA)
where:
Base-Base interactions energy: -942.613
where: short stacking energy: -381.370
Base-Backbone interact. energy: -0.233
local terms energy: -539.569583
where:
bonds (distance) C4'-P energy: -114.613
bonds (distance) P-C4' energy: -140.654
flat angles C4'-P-C4' energy: -134.690
flat angles P-C4'-P energy: -71.981
tors. eta vs tors. theta energy: -77.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1186.875963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.875963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.875963 (E_RNA)
where:
Base-Base interactions energy: -699.164
where: short stacking energy: -349.889
Base-Backbone interact. energy: -0.242
local terms energy: -487.469200
where:
bonds (distance) C4'-P energy: -117.211
bonds (distance) P-C4' energy: -138.297
flat angles C4'-P-C4' energy: -114.866
flat angles P-C4'-P energy: -58.479
tors. eta vs tors. theta energy: -58.616
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: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -702.404248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.404248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.404248 (E_RNA)
where:
Base-Base interactions energy: -323.942
where: short stacking energy: -192.684
Base-Backbone interact. energy: 5.320
local terms energy: -383.782199
where:
bonds (distance) C4'-P energy: -112.525
bonds (distance) P-C4' energy: -120.363
flat angles C4'-P-C4' energy: -89.302
flat angles P-C4'-P energy: -64.531
tors. eta vs tors. theta energy: 2.940
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: 1
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -645.918058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.918058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.918058 (E_RNA)
where:
Base-Base interactions energy: -273.748
where: short stacking energy: -191.333
Base-Backbone interact. energy: -1.188
local terms energy: -370.981831
where:
bonds (distance) C4'-P energy: -113.720
bonds (distance) P-C4' energy: -135.494
flat angles C4'-P-C4' energy: -103.218
flat angles P-C4'-P energy: -51.777
tors. eta vs tors. theta energy: 33.228
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: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2605.901264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.901264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.901264 (E_RNA)
where:
Base-Base interactions energy: -1806.483
where: short stacking energy: -730.070
Base-Backbone interact. energy: -2.282
local terms energy: -797.136864
where:
bonds (distance) C4'-P energy: -133.741
bonds (distance) P-C4' energy: -149.211
flat angles C4'-P-C4' energy: -173.172
flat angles P-C4'-P energy: -108.520
tors. eta vs tors. theta energy: -232.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -2406.919584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2406.919584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2406.919584 (E_RNA)
where:
Base-Base interactions energy: -1651.969
where: short stacking energy: -700.282
Base-Backbone interact. energy: 5.073
local terms energy: -760.023413
where:
bonds (distance) C4'-P energy: -149.528
bonds (distance) P-C4' energy: -136.633
flat angles C4'-P-C4' energy: -168.495
flat angles P-C4'-P energy: -112.657
tors. eta vs tors. theta energy: -192.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -2322.836224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.836224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.836224 (E_RNA)
where:
Base-Base interactions energy: -1552.335
where: short stacking energy: -670.765
Base-Backbone interact. energy: -0.135
local terms energy: -770.366289
where:
bonds (distance) C4'-P energy: -143.351
bonds (distance) P-C4' energy: -154.473
flat angles C4'-P-C4' energy: -160.906
flat angles P-C4'-P energy: -106.260
tors. eta vs tors. theta energy: -205.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -2229.376495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.376495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.376495 (E_RNA)
where:
Base-Base interactions energy: -1514.575
where: short stacking energy: -648.514
Base-Backbone interact. energy: -0.374
local terms energy: -714.428178
where:
bonds (distance) C4'-P energy: -128.840
bonds (distance) P-C4' energy: -145.829
flat angles C4'-P-C4' energy: -152.650
flat angles P-C4'-P energy: -90.877
tors. eta vs tors. theta energy: -196.232
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: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -2067.847691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.847691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.847691 (E_RNA)
where:
Base-Base interactions energy: -1414.454
where: short stacking energy: -607.842
Base-Backbone interact. energy: -1.004
local terms energy: -652.388887
where:
bonds (distance) C4'-P energy: -125.601
bonds (distance) P-C4' energy: -122.809
flat angles C4'-P-C4' energy: -132.273
flat angles P-C4'-P energy: -109.879
tors. eta vs tors. theta energy: -161.827
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: 166
Temperature: 1.150000
Total energy: -1657.032494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.032494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.032494 (E_RNA)
where:
Base-Base interactions energy: -1063.579
where: short stacking energy: -504.104
Base-Backbone interact. energy: 1.833
local terms energy: -595.286033
where:
bonds (distance) C4'-P energy: -113.923
bonds (distance) P-C4' energy: -149.125
flat angles C4'-P-C4' energy: -143.923
flat angles P-C4'-P energy: -80.505
tors. eta vs tors. theta energy: -107.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1392.870398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.870398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.870398 (E_RNA)
where:
Base-Base interactions energy: -897.193
where: short stacking energy: -379.031
Base-Backbone interact. energy: 0.929
local terms energy: -496.605620
where:
bonds (distance) C4'-P energy: -111.969
bonds (distance) P-C4' energy: -135.303
flat angles C4'-P-C4' energy: -120.424
flat angles P-C4'-P energy: -54.397
tors. eta vs tors. theta energy: -74.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1198.517660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.517660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.517660 (E_RNA)
where:
Base-Base interactions energy: -695.699
where: short stacking energy: -341.953
Base-Backbone interact. energy: 3.842
local terms energy: -506.661471
where:
bonds (distance) C4'-P energy: -118.677
bonds (distance) P-C4' energy: -133.336
flat angles C4'-P-C4' energy: -116.736
flat angles P-C4'-P energy: -85.464
tors. eta vs tors. theta energy: -52.448
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: 166
Temperature: 1.300000
Total energy: -665.594014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.594014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.594014 (E_RNA)
where:
Base-Base interactions energy: -277.096
where: short stacking energy: -192.367
Base-Backbone interact. energy: -4.000
local terms energy: -384.497524
where:
bonds (distance) C4'-P energy: -118.911
bonds (distance) P-C4' energy: -124.354
flat angles C4'-P-C4' energy: -99.097
flat angles P-C4'-P energy: -58.058
tors. eta vs tors. theta energy: 15.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -622.409613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.409613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.409613 (E_RNA)
where:
Base-Base interactions energy: -251.117
where: short stacking energy: -161.331
Base-Backbone interact. energy: 2.218
local terms energy: -373.509978
where:
bonds (distance) C4'-P energy: -109.769
bonds (distance) P-C4' energy: -135.545
flat angles C4'-P-C4' energy: -96.920
flat angles P-C4'-P energy: -74.322
tors. eta vs tors. theta energy: 43.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2630.014807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.014807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.014807 (E_RNA)
where:
Base-Base interactions energy: -1803.217
where: short stacking energy: -753.205
Base-Backbone interact. energy: 0.182
local terms energy: -826.979901
where:
bonds (distance) C4'-P energy: -157.713
bonds (distance) P-C4' energy: -145.681
flat angles C4'-P-C4' energy: -173.737
flat angles P-C4'-P energy: -120.231
tors. eta vs tors. theta energy: -229.617
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: 167
Temperature: 0.950000
Total energy: -2401.130676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.130676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.130676 (E_RNA)
where:
Base-Base interactions energy: -1632.297
where: short stacking energy: -648.517
Base-Backbone interact. energy: -5.997
local terms energy: -762.836672
where:
bonds (distance) C4'-P energy: -158.788
bonds (distance) P-C4' energy: -146.528
flat angles C4'-P-C4' energy: -160.658
flat angles P-C4'-P energy: -112.171
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: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -2279.885913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.885913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.885913 (E_RNA)
where:
Base-Base interactions energy: -1526.641
where: short stacking energy: -646.563
Base-Backbone interact. energy: -3.954
local terms energy: -749.290943
where:
bonds (distance) C4'-P energy: -140.645
bonds (distance) P-C4' energy: -152.532
flat angles C4'-P-C4' energy: -159.292
flat angles P-C4'-P energy: -103.985
tors. eta vs tors. theta energy: -192.838
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: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -2227.973442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.973442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.973442 (E_RNA)
where:
Base-Base interactions energy: -1503.252
where: short stacking energy: -645.905
Base-Backbone interact. energy: -7.075
local terms energy: -717.645916
where:
bonds (distance) C4'-P energy: -144.211
bonds (distance) P-C4' energy: -121.874
flat angles C4'-P-C4' energy: -152.966
flat angles P-C4'-P energy: -109.290
tors. eta vs tors. theta energy: -189.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -2095.287079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.287079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.287079 (E_RNA)
where:
Base-Base interactions energy: -1402.758
where: short stacking energy: -611.907
Base-Backbone interact. energy: 3.129
local terms energy: -695.658094
where:
bonds (distance) C4'-P energy: -134.567
bonds (distance) P-C4' energy: -140.820
flat angles C4'-P-C4' energy: -155.627
flat angles P-C4'-P energy: -85.738
tors. eta vs tors. theta energy: -178.907
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: 10
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1641.233596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.233596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.233596 (E_RNA)
where:
Base-Base interactions energy: -1014.675
where: short stacking energy: -456.004
Base-Backbone interact. energy: -2.503
local terms energy: -624.055442
where:
bonds (distance) C4'-P energy: -143.088
bonds (distance) P-C4' energy: -138.355
flat angles C4'-P-C4' energy: -149.423
flat angles P-C4'-P energy: -89.701
tors. eta vs tors. theta energy: -103.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1356.084551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.084551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.084551 (E_RNA)
where:
Base-Base interactions energy: -837.353
where: short stacking energy: -341.568
Base-Backbone interact. energy: 1.967
local terms energy: -520.699204
where:
bonds (distance) C4'-P energy: -122.467
bonds (distance) P-C4' energy: -143.055
flat angles C4'-P-C4' energy: -129.272
flat angles P-C4'-P energy: -70.836
tors. eta vs tors. theta energy: -55.070
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: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1204.373733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.373733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.373733 (E_RNA)
where:
Base-Base interactions energy: -700.227
where: short stacking energy: -335.305
Base-Backbone interact. energy: -4.229
local terms energy: -499.917686
where:
bonds (distance) C4'-P energy: -116.914
bonds (distance) P-C4' energy: -129.171
flat angles C4'-P-C4' energy: -121.025
flat angles P-C4'-P energy: -71.687
tors. eta vs tors. theta energy: -61.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -691.360904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.360904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.360904 (E_RNA)
where:
Base-Base interactions energy: -281.675
where: short stacking energy: -181.161
Base-Backbone interact. energy: 3.531
local terms energy: -413.216289
where:
bonds (distance) C4'-P energy: -119.411
bonds (distance) P-C4' energy: -131.815
flat angles C4'-P-C4' energy: -114.229
flat angles P-C4'-P energy: -58.008
tors. eta vs tors. theta energy: 10.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -622.682545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.682545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.682545 (E_RNA)
where:
Base-Base interactions energy: -250.681
where: short stacking energy: -160.259
Base-Backbone interact. energy: 0.606
local terms energy: -372.607584
where:
bonds (distance) C4'-P energy: -132.928
bonds (distance) P-C4' energy: -144.232
flat angles C4'-P-C4' energy: -76.364
flat angles P-C4'-P energy: -56.151
tors. eta vs tors. theta energy: 37.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2631.587281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.587281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.587281 (E_RNA)
where:
Base-Base interactions energy: -1816.912
where: short stacking energy: -736.716
Base-Backbone interact. energy: -1.554
local terms energy: -813.121429
where:
bonds (distance) C4'-P energy: -144.330
bonds (distance) P-C4' energy: -158.627
flat angles C4'-P-C4' energy: -162.767
flat angles P-C4'-P energy: -121.011
tors. eta vs tors. theta energy: -226.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -2447.510602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.510602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.510602 (E_RNA)
where:
Base-Base interactions energy: -1690.724
where: short stacking energy: -684.058
Base-Backbone interact. energy: -5.434
local terms energy: -751.352418
where:
bonds (distance) C4'-P energy: -135.645
bonds (distance) P-C4' energy: -141.722
flat angles C4'-P-C4' energy: -155.902
flat angles P-C4'-P energy: -111.460
tors. eta vs tors. theta energy: -206.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -2273.408075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.408075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.408075 (E_RNA)
where:
Base-Base interactions energy: -1539.538
where: short stacking energy: -639.357
Base-Backbone interact. energy: -2.756
local terms energy: -731.114236
where:
bonds (distance) C4'-P energy: -136.016
bonds (distance) P-C4' energy: -127.734
flat angles C4'-P-C4' energy: -162.620
flat angles P-C4'-P energy: -115.606
tors. eta vs tors. theta energy: -189.139
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: 4
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -2222.883788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.883788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.883788 (E_RNA)
where:
Base-Base interactions energy: -1493.730
where: short stacking energy: -642.818
Base-Backbone interact. energy: -1.770
local terms energy: -727.383386
where:
bonds (distance) C4'-P energy: -137.710
bonds (distance) P-C4' energy: -148.740
flat angles C4'-P-C4' energy: -150.095
flat angles P-C4'-P energy: -114.887
tors. eta vs tors. theta energy: -175.951
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: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -2076.198376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.198376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.198376 (E_RNA)
where:
Base-Base interactions energy: -1402.353
where: short stacking energy: -580.162
Base-Backbone interact. energy: 5.188
local terms energy: -679.033249
where:
bonds (distance) C4'-P energy: -137.112
bonds (distance) P-C4' energy: -146.005
flat angles C4'-P-C4' energy: -143.990
flat angles P-C4'-P energy: -90.566
tors. eta vs tors. theta energy: -161.361
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: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1660.655503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.655503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.655503 (E_RNA)
where:
Base-Base interactions energy: -1055.680
where: short stacking energy: -508.794
Base-Backbone interact. energy: -0.763
local terms energy: -604.212176
where:
bonds (distance) C4'-P energy: -112.695
bonds (distance) P-C4' energy: -147.558
flat angles C4'-P-C4' energy: -132.298
flat angles P-C4'-P energy: -96.904
tors. eta vs tors. theta energy: -114.757
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: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1423.129730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.129730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.129730 (E_RNA)
where:
Base-Base interactions energy: -917.366
where: short stacking energy: -414.928
Base-Backbone interact. energy: -1.529
local terms energy: -504.235316
where:
bonds (distance) C4'-P energy: -116.245
bonds (distance) P-C4' energy: -128.913
flat angles C4'-P-C4' energy: -99.501
flat angles P-C4'-P energy: -85.490
tors. eta vs tors. theta energy: -74.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1197.316879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.316879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.316879 (E_RNA)
where:
Base-Base interactions energy: -682.720
where: short stacking energy: -334.633
Base-Backbone interact. energy: -2.238
local terms energy: -512.358599
where:
bonds (distance) C4'-P energy: -108.741
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -127.402
flat angles P-C4'-P energy: -93.048
tors. eta vs tors. theta energy: -52.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -684.935844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.935844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.935844 (E_RNA)
where:
Base-Base interactions energy: -304.900
where: short stacking energy: -202.823
Base-Backbone interact. energy: -1.239
local terms energy: -378.796184
where:
bonds (distance) C4'-P energy: -111.413
bonds (distance) P-C4' energy: -125.577
flat angles C4'-P-C4' energy: -83.842
flat angles P-C4'-P energy: -65.116
tors. eta vs tors. theta energy: 7.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -681.870546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.870546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.870546 (E_RNA)
where:
Base-Base interactions energy: -309.350
where: short stacking energy: -188.984
Base-Backbone interact. energy: 11.143
local terms energy: -383.663246
where:
bonds (distance) C4'-P energy: -114.443
bonds (distance) P-C4' energy: -133.517
flat angles C4'-P-C4' energy: -110.745
flat angles P-C4'-P energy: -53.166
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: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2624.698169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2624.698169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2624.698169 (E_RNA)
where:
Base-Base interactions energy: -1788.471
where: short stacking energy: -741.094
Base-Backbone interact. energy: -1.483
local terms energy: -834.744420
where:
bonds (distance) C4'-P energy: -158.259
bonds (distance) P-C4' energy: -148.992
flat angles C4'-P-C4' energy: -177.388
flat angles P-C4'-P energy: -121.361
tors. eta vs tors. theta energy: -228.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -2459.282409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.282409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.282409 (E_RNA)
where:
Base-Base interactions energy: -1660.039
where: short stacking energy: -688.468
Base-Backbone interact. energy: -5.320
local terms energy: -793.923565
where:
bonds (distance) C4'-P energy: -137.445
bonds (distance) P-C4' energy: -164.499
flat angles C4'-P-C4' energy: -181.047
flat angles P-C4'-P energy: -118.588
tors. eta vs tors. theta energy: -192.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -2264.108489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.108489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.108489 (E_RNA)
where:
Base-Base interactions energy: -1521.567
where: short stacking energy: -662.290
Base-Backbone interact. energy: -0.462
local terms energy: -742.079961
where:
bonds (distance) C4'-P energy: -143.738
bonds (distance) P-C4' energy: -146.236
flat angles C4'-P-C4' energy: -146.696
flat angles P-C4'-P energy: -97.542
tors. eta vs tors. theta energy: -207.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -2256.098858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2256.098858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2256.098858 (E_RNA)
where:
Base-Base interactions energy: -1522.482
where: short stacking energy: -655.309
Base-Backbone interact. energy: -5.501
local terms energy: -728.115822
where:
bonds (distance) C4'-P energy: -126.112
bonds (distance) P-C4' energy: -136.833
flat angles C4'-P-C4' energy: -162.351
flat angles P-C4'-P energy: -105.732
tors. eta vs tors. theta energy: -197.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -2047.391148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.391148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.391148 (E_RNA)
where:
Base-Base interactions energy: -1364.257
where: short stacking energy: -581.001
Base-Backbone interact. energy: -3.313
local terms energy: -679.821183
where:
bonds (distance) C4'-P energy: -141.065
bonds (distance) P-C4' energy: -139.840
flat angles C4'-P-C4' energy: -148.776
flat angles P-C4'-P energy: -89.841
tors. eta vs tors. theta energy: -160.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1655.225825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.225825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.225825 (E_RNA)
where:
Base-Base interactions energy: -1049.840
where: short stacking energy: -464.471
Base-Backbone interact. energy: -3.132
local terms energy: -602.254298
where:
bonds (distance) C4'-P energy: -133.039
bonds (distance) P-C4' energy: -117.790
flat angles C4'-P-C4' energy: -145.670
flat angles P-C4'-P energy: -85.819
tors. eta vs tors. theta energy: -119.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1392.482961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.482961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.482961 (E_RNA)
where:
Base-Base interactions energy: -847.798
where: short stacking energy: -386.930
Base-Backbone interact. energy: 1.777
local terms energy: -546.461864
where:
bonds (distance) C4'-P energy: -117.043
bonds (distance) P-C4' energy: -129.303
flat angles C4'-P-C4' energy: -132.227
flat angles P-C4'-P energy: -84.502
tors. eta vs tors. theta energy: -83.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1224.624193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.624193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.624193 (E_RNA)
where:
Base-Base interactions energy: -727.160
where: short stacking energy: -350.279
Base-Backbone interact. energy: 7.286
local terms energy: -504.750525
where:
bonds (distance) C4'-P energy: -128.108
bonds (distance) P-C4' energy: -124.226
flat angles C4'-P-C4' energy: -115.865
flat angles P-C4'-P energy: -91.788
tors. eta vs tors. theta energy: -44.763
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: 169
Temperature: 1.300000
Total energy: -713.704243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.704243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.704243 (E_RNA)
where:
Base-Base interactions energy: -312.267
where: short stacking energy: -209.541
Base-Backbone interact. energy: 2.407
local terms energy: -403.844186
where:
bonds (distance) C4'-P energy: -131.182
bonds (distance) P-C4' energy: -125.595
flat angles C4'-P-C4' energy: -104.149
flat angles P-C4'-P energy: -49.472
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: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -619.224393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.224393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.224393 (E_RNA)
where:
Base-Base interactions energy: -226.440
where: short stacking energy: -168.408
Base-Backbone interact. energy: 2.244
local terms energy: -395.028425
where:
bonds (distance) C4'-P energy: -117.757
bonds (distance) P-C4' energy: -143.306
flat angles C4'-P-C4' energy: -99.593
flat angles P-C4'-P energy: -65.542
tors. eta vs tors. theta energy: 31.170
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: 1, replica: 2
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2632.210199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.210199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.210199 (E_RNA)
where:
Base-Base interactions energy: -1823.106
where: short stacking energy: -743.382
Base-Backbone interact. energy: -3.032
local terms energy: -806.072460
where:
bonds (distance) C4'-P energy: -124.467
bonds (distance) P-C4' energy: -144.166
flat angles C4'-P-C4' energy: -180.278
flat angles P-C4'-P energy: -129.953
tors. eta vs tors. theta energy: -227.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -2454.517795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2454.517795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2454.517795 (E_RNA)
where:
Base-Base interactions energy: -1665.822
where: short stacking energy: -667.962
Base-Backbone interact. energy: -5.063
local terms energy: -783.632468
where:
bonds (distance) C4'-P energy: -150.923
bonds (distance) P-C4' energy: -149.209
flat angles C4'-P-C4' energy: -168.799
flat angles P-C4'-P energy: -107.904
tors. eta vs tors. theta energy: -206.797
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: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -2260.592675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.592675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.592675 (E_RNA)
where:
Base-Base interactions energy: -1514.451
where: short stacking energy: -678.908
Base-Backbone interact. energy: -1.106
local terms energy: -745.036540
where:
bonds (distance) C4'-P energy: -138.685
bonds (distance) P-C4' energy: -144.947
flat angles C4'-P-C4' energy: -169.063
flat angles P-C4'-P energy: -80.504
tors. eta vs tors. theta energy: -211.838
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: 4
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -2219.603759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.603759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.603759 (E_RNA)
where:
Base-Base interactions energy: -1470.896
where: short stacking energy: -617.260
Base-Backbone interact. energy: -0.889
local terms energy: -747.818671
where:
bonds (distance) C4'-P energy: -143.792
bonds (distance) P-C4' energy: -143.970
flat angles C4'-P-C4' energy: -161.398
flat angles P-C4'-P energy: -104.510
tors. eta vs tors. theta energy: -194.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -2131.711218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.711218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.711218 (E_RNA)
where:
Base-Base interactions energy: -1477.448
where: short stacking energy: -608.691
Base-Backbone interact. energy: -1.242
local terms energy: -653.021146
where:
bonds (distance) C4'-P energy: -122.457
bonds (distance) P-C4' energy: -123.196
flat angles C4'-P-C4' energy: -159.047
flat angles P-C4'-P energy: -79.798
tors. eta vs tors. theta energy: -168.524
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: 10
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1615.054707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.054707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.054707 (E_RNA)
where:
Base-Base interactions energy: -1025.717
where: short stacking energy: -477.043
Base-Backbone interact. energy: -0.278
local terms energy: -589.059457
where:
bonds (distance) C4'-P energy: -136.109
bonds (distance) P-C4' energy: -133.310
flat angles C4'-P-C4' energy: -146.910
flat angles P-C4'-P energy: -63.610
tors. eta vs tors. theta energy: -109.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1324.938263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.938263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.938263 (E_RNA)
where:
Base-Base interactions energy: -830.468
where: short stacking energy: -376.226
Base-Backbone interact. energy: -1.721
local terms energy: -492.748584
where:
bonds (distance) C4'-P energy: -128.151
bonds (distance) P-C4' energy: -125.364
flat angles C4'-P-C4' energy: -100.003
flat angles P-C4'-P energy: -84.321
tors. eta vs tors. theta energy: -54.909
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: 7
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1186.783861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.783861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.783861 (E_RNA)
where:
Base-Base interactions energy: -691.477
where: short stacking energy: -350.801
Base-Backbone interact. energy: -2.339
local terms energy: -492.968390
where:
bonds (distance) C4'-P energy: -125.113
bonds (distance) P-C4' energy: -123.196
flat angles C4'-P-C4' energy: -131.280
flat angles P-C4'-P energy: -61.332
tors. eta vs tors. theta energy: -52.048
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: 170
Temperature: 1.300000
Total energy: -750.855912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.855912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.855912 (E_RNA)
where:
Base-Base interactions energy: -311.365
where: short stacking energy: -217.212
Base-Backbone interact. energy: 1.575
local terms energy: -441.065988
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -136.088
flat angles C4'-P-C4' energy: -116.873
flat angles P-C4'-P energy: -74.996
tors. eta vs tors. theta energy: -1.028
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -575.573408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.573408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.573408 (E_RNA)
where:
Base-Base interactions energy: -236.380
where: short stacking energy: -165.636
Base-Backbone interact. energy: 6.490
local terms energy: -345.684040
where:
bonds (distance) C4'-P energy: -118.737
bonds (distance) P-C4' energy: -126.942
flat angles C4'-P-C4' energy: -80.594
flat angles P-C4'-P energy: -62.640
tors. eta vs tors. theta energy: 43.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2633.308741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2633.308741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2633.308741 (E_RNA)
where:
Base-Base interactions energy: -1809.802
where: short stacking energy: -733.618
Base-Backbone interact. energy: 0.066
local terms energy: -823.573110
where:
bonds (distance) C4'-P energy: -154.686
bonds (distance) P-C4' energy: -161.188
flat angles C4'-P-C4' energy: -162.675
flat angles P-C4'-P energy: -113.007
tors. eta vs tors. theta energy: -232.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -2457.748728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.748728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.748728 (E_RNA)
where:
Base-Base interactions energy: -1697.117
where: short stacking energy: -672.924
Base-Backbone interact. energy: -2.713
local terms energy: -757.918283
where:
bonds (distance) C4'-P energy: -144.851
bonds (distance) P-C4' energy: -151.660
flat angles C4'-P-C4' energy: -167.563
flat angles P-C4'-P energy: -92.162
tors. eta vs tors. theta energy: -201.683
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: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -2260.614019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.614019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.614019 (E_RNA)
where:
Base-Base interactions energy: -1520.925
where: short stacking energy: -648.944
Base-Backbone interact. energy: -1.002
local terms energy: -738.686215
where:
bonds (distance) C4'-P energy: -128.692
bonds (distance) P-C4' energy: -143.546
flat angles C4'-P-C4' energy: -159.013
flat angles P-C4'-P energy: -111.239
tors. eta vs tors. theta energy: -196.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -2261.080620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.080620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.080620 (E_RNA)
where:
Base-Base interactions energy: -1532.244
where: short stacking energy: -643.943
Base-Backbone interact. energy: -2.645
local terms energy: -726.192049
where:
bonds (distance) C4'-P energy: -142.170
bonds (distance) P-C4' energy: -130.690
flat angles C4'-P-C4' energy: -155.866
flat angles P-C4'-P energy: -103.173
tors. eta vs tors. theta energy: -194.293
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: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -2056.511099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.511099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.511099 (E_RNA)
where:
Base-Base interactions energy: -1381.557
where: short stacking energy: -582.621
Base-Backbone interact. energy: -0.655
local terms energy: -674.299005
where:
bonds (distance) C4'-P energy: -125.379
bonds (distance) P-C4' energy: -135.706
flat angles C4'-P-C4' energy: -143.936
flat angles P-C4'-P energy: -96.702
tors. eta vs tors. theta energy: -172.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1619.476154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.476154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.476154 (E_RNA)
where:
Base-Base interactions energy: -1014.578
where: short stacking energy: -464.227
Base-Backbone interact. energy: 0.056
local terms energy: -604.954391
where:
bonds (distance) C4'-P energy: -125.421
bonds (distance) P-C4' energy: -133.462
flat angles C4'-P-C4' energy: -136.994
flat angles P-C4'-P energy: -87.546
tors. eta vs tors. theta energy: -121.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1364.857148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.857148 (E_RNA)
where:
Base-Base interactions energy: -814.292
where: short stacking energy: -375.095
Base-Backbone interact. energy: -3.909
local terms energy: -546.655904
where:
bonds (distance) C4'-P energy: -135.304
bonds (distance) P-C4' energy: -122.954
flat angles C4'-P-C4' energy: -144.863
flat angles P-C4'-P energy: -71.983
tors. eta vs tors. theta energy: -71.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1198.486005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.486005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.486005 (E_RNA)
where:
Base-Base interactions energy: -718.024
where: short stacking energy: -332.444
Base-Backbone interact. energy: 2.285
local terms energy: -482.747015
where:
bonds (distance) C4'-P energy: -108.914
bonds (distance) P-C4' energy: -123.552
flat angles C4'-P-C4' energy: -120.145
flat angles P-C4'-P energy: -81.289
tors. eta vs tors. theta energy: -48.847
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: 171
Temperature: 1.300000
Total energy: -683.697441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.697441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.697441 (E_RNA)
where:
Base-Base interactions energy: -296.138
where: short stacking energy: -185.778
Base-Backbone interact. energy: -0.749
local terms energy: -386.810469
where:
bonds (distance) C4'-P energy: -124.472
bonds (distance) P-C4' energy: -134.040
flat angles C4'-P-C4' energy: -78.607
flat angles P-C4'-P energy: -69.357
tors. eta vs tors. theta energy: 19.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -567.744308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.744308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.744308 (E_RNA)
where:
Base-Base interactions energy: -190.958
where: short stacking energy: -162.807
Base-Backbone interact. energy: -0.575
local terms energy: -376.211645
where:
bonds (distance) C4'-P energy: -101.980
bonds (distance) P-C4' energy: -123.039
flat angles C4'-P-C4' energy: -114.424
flat angles P-C4'-P energy: -70.766
tors. eta vs tors. theta energy: 33.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2616.581095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.581095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.581095 (E_RNA)
where:
Base-Base interactions energy: -1793.383
where: short stacking energy: -756.395
Base-Backbone interact. energy: -2.388
local terms energy: -820.810186
where:
bonds (distance) C4'-P energy: -153.680
bonds (distance) P-C4' energy: -164.770
flat angles C4'-P-C4' energy: -176.125
flat angles P-C4'-P energy: -108.333
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: 2, replica: 3
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -2415.026225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.026225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.026225 (E_RNA)
where:
Base-Base interactions energy: -1677.404
where: short stacking energy: -687.130
Base-Backbone interact. energy: -3.147
local terms energy: -734.474816
where:
bonds (distance) C4'-P energy: -150.254
bonds (distance) P-C4' energy: -129.967
flat angles C4'-P-C4' energy: -155.968
flat angles P-C4'-P energy: -93.287
tors. eta vs tors. theta energy: -204.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -2285.870745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.870745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.870745 (E_RNA)
where:
Base-Base interactions energy: -1527.230
where: short stacking energy: -624.278
Base-Backbone interact. energy: -2.657
local terms energy: -755.983435
where:
bonds (distance) C4'-P energy: -152.123
bonds (distance) P-C4' energy: -141.881
flat angles C4'-P-C4' energy: -160.175
flat angles P-C4'-P energy: -111.600
tors. eta vs tors. theta energy: -190.206
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -2280.415163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.415163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.415163 (E_RNA)
where:
Base-Base interactions energy: -1532.325
where: short stacking energy: -664.550
Base-Backbone interact. energy: -3.266
local terms energy: -744.823908
where:
bonds (distance) C4'-P energy: -140.659
bonds (distance) P-C4' energy: -136.844
flat angles C4'-P-C4' energy: -154.935
flat angles P-C4'-P energy: -105.542
tors. eta vs tors. theta energy: -206.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -2123.164666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.164666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.164666 (E_RNA)
where:
Base-Base interactions energy: -1436.077
where: short stacking energy: -618.729
Base-Backbone interact. energy: -4.052
local terms energy: -683.035120
where:
bonds (distance) C4'-P energy: -128.493
bonds (distance) P-C4' energy: -128.797
flat angles C4'-P-C4' energy: -147.578
flat angles P-C4'-P energy: -112.624
tors. eta vs tors. theta energy: -165.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1580.800549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.800549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.800549 (E_RNA)
where:
Base-Base interactions energy: -1007.965
where: short stacking energy: -458.375
Base-Backbone interact. energy: -3.259
local terms energy: -569.576868
where:
bonds (distance) C4'-P energy: -126.414
bonds (distance) P-C4' energy: -131.155
flat angles C4'-P-C4' energy: -133.287
flat angles P-C4'-P energy: -90.809
tors. eta vs tors. theta energy: -87.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1288.052903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.052903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.052903 (E_RNA)
where:
Base-Base interactions energy: -768.207
where: short stacking energy: -356.102
Base-Backbone interact. energy: 1.208
local terms energy: -521.053771
where:
bonds (distance) C4'-P energy: -131.173
bonds (distance) P-C4' energy: -139.538
flat angles C4'-P-C4' energy: -118.902
flat angles P-C4'-P energy: -70.452
tors. eta vs tors. theta energy: -60.989
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: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1214.359377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.359377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.359377 (E_RNA)
where:
Base-Base interactions energy: -715.715
where: short stacking energy: -298.094
Base-Backbone interact. energy: -5.195
local terms energy: -493.448677
where:
bonds (distance) C4'-P energy: -131.684
bonds (distance) P-C4' energy: -144.175
flat angles C4'-P-C4' energy: -108.676
flat angles P-C4'-P energy: -61.791
tors. eta vs tors. theta energy: -47.123
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: 172
Temperature: 1.300000
Total energy: -725.915102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.915102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.915102 (E_RNA)
where:
Base-Base interactions energy: -299.556
where: short stacking energy: -183.760
Base-Backbone interact. energy: 4.001
local terms energy: -430.360706
where:
bonds (distance) C4'-P energy: -121.092
bonds (distance) P-C4' energy: -162.908
flat angles C4'-P-C4' energy: -97.579
flat angles P-C4'-P energy: -56.578
tors. eta vs tors. theta energy: 7.797
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: 10, replica: 1
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -576.963432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.963432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.963432 (E_RNA)
where:
Base-Base interactions energy: -184.072
where: short stacking energy: -130.166
Base-Backbone interact. energy: 1.846
local terms energy: -394.737743
where:
bonds (distance) C4'-P energy: -119.684
bonds (distance) P-C4' energy: -128.630
flat angles C4'-P-C4' energy: -111.846
flat angles P-C4'-P energy: -74.168
tors. eta vs tors. theta energy: 39.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2635.947263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.947263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.947263 (E_RNA)
where:
Base-Base interactions energy: -1807.334
where: short stacking energy: -735.832
Base-Backbone interact. energy: -2.930
local terms energy: -825.682853
where:
bonds (distance) C4'-P energy: -141.358
bonds (distance) P-C4' energy: -159.284
flat angles C4'-P-C4' energy: -179.536
flat angles P-C4'-P energy: -112.402
tors. eta vs tors. theta energy: -233.103
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: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -2421.614324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.614324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.614324 (E_RNA)
where:
Base-Base interactions energy: -1673.754
where: short stacking energy: -694.614
Base-Backbone interact. energy: -1.642
local terms energy: -746.218812
where:
bonds (distance) C4'-P energy: -144.233
bonds (distance) P-C4' energy: -145.787
flat angles C4'-P-C4' energy: -151.014
flat angles P-C4'-P energy: -103.038
tors. eta vs tors. theta energy: -202.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -2346.555693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.555693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.555693 (E_RNA)
where:
Base-Base interactions energy: -1584.345
where: short stacking energy: -659.795
Base-Backbone interact. energy: 1.999
local terms energy: -764.210580
where:
bonds (distance) C4'-P energy: -134.957
bonds (distance) P-C4' energy: -148.724
flat angles C4'-P-C4' energy: -167.307
flat angles P-C4'-P energy: -104.906
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: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -2261.371043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.371043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.371043 (E_RNA)
where:
Base-Base interactions energy: -1548.947
where: short stacking energy: -668.682
Base-Backbone interact. energy: 1.050
local terms energy: -713.473658
where:
bonds (distance) C4'-P energy: -137.561
bonds (distance) P-C4' energy: -135.441
flat angles C4'-P-C4' energy: -159.372
flat angles P-C4'-P energy: -85.833
tors. eta vs tors. theta energy: -195.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -2105.239408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.239408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.239408 (E_RNA)
where:
Base-Base interactions energy: -1403.375
where: short stacking energy: -617.170
Base-Backbone interact. energy: -1.980
local terms energy: -699.884184
where:
bonds (distance) C4'-P energy: -142.781
bonds (distance) P-C4' energy: -130.716
flat angles C4'-P-C4' energy: -144.325
flat angles P-C4'-P energy: -96.719
tors. eta vs tors. theta energy: -185.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1655.618319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.618319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.618319 (E_RNA)
where:
Base-Base interactions energy: -1034.329
where: short stacking energy: -460.695
Base-Backbone interact. energy: 3.981
local terms energy: -625.270477
where:
bonds (distance) C4'-P energy: -137.032
bonds (distance) P-C4' energy: -152.202
flat angles C4'-P-C4' energy: -143.148
flat angles P-C4'-P energy: -85.913
tors. eta vs tors. theta energy: -106.975
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: 7, replica: 7
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1305.966219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.966219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.966219 (E_RNA)
where:
Base-Base interactions energy: -792.630
where: short stacking energy: -369.134
Base-Backbone interact. energy: 3.590
local terms energy: -516.925520
where:
bonds (distance) C4'-P energy: -128.296
bonds (distance) P-C4' energy: -134.150
flat angles C4'-P-C4' energy: -113.399
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -65.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1228.730375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.730375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.730375 (E_RNA)
where:
Base-Base interactions energy: -715.627
where: short stacking energy: -334.476
Base-Backbone interact. energy: -1.030
local terms energy: -512.074099
where:
bonds (distance) C4'-P energy: -131.286
bonds (distance) P-C4' energy: -132.913
flat angles C4'-P-C4' energy: -109.378
flat angles P-C4'-P energy: -65.964
tors. eta vs tors. theta energy: -72.533
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: 173
Temperature: 1.300000
Total energy: -750.925972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.925972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.925972 (E_RNA)
where:
Base-Base interactions energy: -314.616
where: short stacking energy: -189.111
Base-Backbone interact. energy: -1.665
local terms energy: -434.645221
where:
bonds (distance) C4'-P energy: -124.927
bonds (distance) P-C4' energy: -141.176
flat angles C4'-P-C4' energy: -118.163
flat angles P-C4'-P energy: -47.761
tors. eta vs tors. theta energy: -2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -567.451780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.451780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.451780 (E_RNA)
where:
Base-Base interactions energy: -193.542
where: short stacking energy: -141.328
Base-Backbone interact. energy: -4.725
local terms energy: -369.185599
where:
bonds (distance) C4'-P energy: -114.762
bonds (distance) P-C4' energy: -146.659
flat angles C4'-P-C4' energy: -89.763
flat angles P-C4'-P energy: -69.030
tors. eta vs tors. theta energy: 51.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2634.064712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.064712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.064712 (E_RNA)
where:
Base-Base interactions energy: -1835.586
where: short stacking energy: -752.372
Base-Backbone interact. energy: -2.416
local terms energy: -796.062332
where:
bonds (distance) C4'-P energy: -140.153
bonds (distance) P-C4' energy: -153.652
flat angles C4'-P-C4' energy: -169.002
flat angles P-C4'-P energy: -100.521
tors. eta vs tors. theta energy: -232.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -2403.591892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.591892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.591892 (E_RNA)
where:
Base-Base interactions energy: -1667.856
where: short stacking energy: -686.014
Base-Backbone interact. energy: -5.335
local terms energy: -730.401377
where:
bonds (distance) C4'-P energy: -135.452
bonds (distance) P-C4' energy: -143.593
flat angles C4'-P-C4' energy: -151.024
flat angles P-C4'-P energy: -111.510
tors. eta vs tors. theta energy: -188.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -2377.159557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.159557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.159557 (E_RNA)
where:
Base-Base interactions energy: -1617.592
where: short stacking energy: -692.637
Base-Backbone interact. energy: -1.087
local terms energy: -758.480700
where:
bonds (distance) C4'-P energy: -129.636
bonds (distance) P-C4' energy: -149.472
flat angles C4'-P-C4' energy: -176.333
flat angles P-C4'-P energy: -91.424
tors. eta vs tors. theta energy: -211.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -2273.854877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.854877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.854877 (E_RNA)
where:
Base-Base interactions energy: -1499.036
where: short stacking energy: -643.682
Base-Backbone interact. energy: -3.033
local terms energy: -771.786245
where:
bonds (distance) C4'-P energy: -138.614
bonds (distance) P-C4' energy: -152.094
flat angles C4'-P-C4' energy: -179.656
flat angles P-C4'-P energy: -112.053
tors. eta vs tors. theta energy: -189.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -2084.461088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.461088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.461088 (E_RNA)
where:
Base-Base interactions energy: -1380.757
where: short stacking energy: -566.681
Base-Backbone interact. energy: 4.968
local terms energy: -708.672334
where:
bonds (distance) C4'-P energy: -135.034
bonds (distance) P-C4' energy: -147.722
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -107.100
tors. eta vs tors. theta energy: -167.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1687.005504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.005504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.005504 (E_RNA)
where:
Base-Base interactions energy: -1045.888
where: short stacking energy: -477.600
Base-Backbone interact. energy: -0.976
local terms energy: -640.141248
where:
bonds (distance) C4'-P energy: -132.873
bonds (distance) P-C4' energy: -155.866
flat angles C4'-P-C4' energy: -136.765
flat angles P-C4'-P energy: -97.079
tors. eta vs tors. theta energy: -117.559
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: 7
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1302.460654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.460654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.460654 (E_RNA)
where:
Base-Base interactions energy: -777.459
where: short stacking energy: -364.955
Base-Backbone interact. energy: 5.074
local terms energy: -530.075330
where:
bonds (distance) C4'-P energy: -120.402
bonds (distance) P-C4' energy: -125.193
flat angles C4'-P-C4' energy: -134.437
flat angles P-C4'-P energy: -83.732
tors. eta vs tors. theta energy: -66.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1314.621188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.621188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.621188 (E_RNA)
where:
Base-Base interactions energy: -812.783
where: short stacking energy: -366.986
Base-Backbone interact. energy: 0.795
local terms energy: -502.633016
where:
bonds (distance) C4'-P energy: -117.429
bonds (distance) P-C4' energy: -134.059
flat angles C4'-P-C4' energy: -118.367
flat angles P-C4'-P energy: -72.819
tors. eta vs tors. theta energy: -59.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -749.427571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.427571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.427571 (E_RNA)
where:
Base-Base interactions energy: -360.016
where: short stacking energy: -227.205
Base-Backbone interact. energy: -2.301
local terms energy: -387.110804
where:
bonds (distance) C4'-P energy: -102.951
bonds (distance) P-C4' energy: -131.162
flat angles C4'-P-C4' energy: -108.418
flat angles P-C4'-P energy: -45.780
tors. eta vs tors. theta energy: 1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -564.349666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.349666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.349666 (E_RNA)
where:
Base-Base interactions energy: -189.369
where: short stacking energy: -165.088
Base-Backbone interact. energy: -1.611
local terms energy: -373.369334
where:
bonds (distance) C4'-P energy: -112.446
bonds (distance) P-C4' energy: -127.470
flat angles C4'-P-C4' energy: -93.997
flat angles P-C4'-P energy: -72.570
tors. eta vs tors. theta energy: 33.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2645.053805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.053805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.053805 (E_RNA)
where:
Base-Base interactions energy: -1835.530
where: short stacking energy: -757.064
Base-Backbone interact. energy: -3.048
local terms energy: -806.475038
where:
bonds (distance) C4'-P energy: -146.679
bonds (distance) P-C4' energy: -144.459
flat angles C4'-P-C4' energy: -174.936
flat angles P-C4'-P energy: -107.823
tors. eta vs tors. theta energy: -232.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -2434.028730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.028730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.028730 (E_RNA)
where:
Base-Base interactions energy: -1641.956
where: short stacking energy: -669.123
Base-Backbone interact. energy: -6.963
local terms energy: -785.109400
where:
bonds (distance) C4'-P energy: -146.596
bonds (distance) P-C4' energy: -158.852
flat angles C4'-P-C4' energy: -171.794
flat angles P-C4'-P energy: -111.589
tors. eta vs tors. theta energy: -196.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -2287.781683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.781683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.781683 (E_RNA)
where:
Base-Base interactions energy: -1542.952
where: short stacking energy: -669.934
Base-Backbone interact. energy: -0.880
local terms energy: -743.950507
where:
bonds (distance) C4'-P energy: -136.327
bonds (distance) P-C4' energy: -144.403
flat angles C4'-P-C4' energy: -166.979
flat angles P-C4'-P energy: -96.076
tors. eta vs tors. theta energy: -200.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -2296.060848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.060848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.060848 (E_RNA)
where:
Base-Base interactions energy: -1556.977
where: short stacking energy: -683.533
Base-Backbone interact. energy: 0.244
local terms energy: -739.327204
where:
bonds (distance) C4'-P energy: -122.880
bonds (distance) P-C4' energy: -132.990
flat angles C4'-P-C4' energy: -171.203
flat angles P-C4'-P energy: -110.180
tors. eta vs tors. theta energy: -202.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -2124.308095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.308095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.308095 (E_RNA)
where:
Base-Base interactions energy: -1451.868
where: short stacking energy: -605.345
Base-Backbone interact. energy: -3.322
local terms energy: -669.118291
where:
bonds (distance) C4'-P energy: -136.975
bonds (distance) P-C4' energy: -139.676
flat angles C4'-P-C4' energy: -143.134
flat angles P-C4'-P energy: -85.456
tors. eta vs tors. theta energy: -163.876
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: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1626.996354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.996354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.996354 (E_RNA)
where:
Base-Base interactions energy: -1050.311
where: short stacking energy: -488.071
Base-Backbone interact. energy: -1.610
local terms energy: -575.074838
where:
bonds (distance) C4'-P energy: -115.405
bonds (distance) P-C4' energy: -132.894
flat angles C4'-P-C4' energy: -135.877
flat angles P-C4'-P energy: -81.447
tors. eta vs tors. theta energy: -109.452
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: 7
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1389.519482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.519482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.519482 (E_RNA)
where:
Base-Base interactions energy: -856.548
where: short stacking energy: -412.963
Base-Backbone interact. energy: 0.491
local terms energy: -533.462650
where:
bonds (distance) C4'-P energy: -112.496
bonds (distance) P-C4' energy: -141.105
flat angles C4'-P-C4' energy: -118.853
flat angles P-C4'-P energy: -85.814
tors. eta vs tors. theta energy: -75.195
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: 5
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1321.061171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.061171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.061171 (E_RNA)
where:
Base-Base interactions energy: -803.440
where: short stacking energy: -382.645
Base-Backbone interact. energy: 2.513
local terms energy: -520.133922
where:
bonds (distance) C4'-P energy: -127.158
bonds (distance) P-C4' energy: -121.597
flat angles C4'-P-C4' energy: -126.422
flat angles P-C4'-P energy: -82.807
tors. eta vs tors. theta energy: -62.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -735.564518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.564518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.564518 (E_RNA)
where:
Base-Base interactions energy: -324.402
where: short stacking energy: -202.627
Base-Backbone interact. energy: -0.635
local terms energy: -410.527577
where:
bonds (distance) C4'-P energy: -115.113
bonds (distance) P-C4' energy: -121.414
flat angles C4'-P-C4' energy: -101.907
flat angles P-C4'-P energy: -80.988
tors. eta vs tors. theta energy: 8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -565.212074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.212074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.212074 (E_RNA)
where:
Base-Base interactions energy: -198.399
where: short stacking energy: -166.853
Base-Backbone interact. energy: 0.789
local terms energy: -367.601575
where:
bonds (distance) C4'-P energy: -132.184
bonds (distance) P-C4' energy: -115.496
flat angles C4'-P-C4' energy: -94.808
flat angles P-C4'-P energy: -61.396
tors. eta vs tors. theta energy: 36.283
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2634.274343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.274343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.274343 (E_RNA)
where:
Base-Base interactions energy: -1828.907
where: short stacking energy: -751.067
Base-Backbone interact. energy: -4.062
local terms energy: -801.305559
where:
bonds (distance) C4'-P energy: -146.600
bonds (distance) P-C4' energy: -155.579
flat angles C4'-P-C4' energy: -167.498
flat angles P-C4'-P energy: -100.629
tors. eta vs tors. theta energy: -230.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -2423.301186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.301186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.301186 (E_RNA)
where:
Base-Base interactions energy: -1640.053
where: short stacking energy: -682.951
Base-Backbone interact. energy: -2.512
local terms energy: -780.736988
where:
bonds (distance) C4'-P energy: -143.168
bonds (distance) P-C4' energy: -158.208
flat angles C4'-P-C4' energy: -161.904
flat angles P-C4'-P energy: -106.377
tors. eta vs tors. theta energy: -211.079
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: 3, replica: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -2288.007668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.007668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.007668 (E_RNA)
where:
Base-Base interactions energy: -1542.210
where: short stacking energy: -648.970
Base-Backbone interact. energy: -4.312
local terms energy: -741.485890
where:
bonds (distance) C4'-P energy: -140.581
bonds (distance) P-C4' energy: -137.406
flat angles C4'-P-C4' energy: -163.422
flat angles P-C4'-P energy: -99.731
tors. eta vs tors. theta energy: -200.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -2314.651048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.651048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.651048 (E_RNA)
where:
Base-Base interactions energy: -1553.114
where: short stacking energy: -697.198
Base-Backbone interact. energy: 2.924
local terms energy: -764.461175
where:
bonds (distance) C4'-P energy: -150.614
bonds (distance) P-C4' energy: -158.998
flat angles C4'-P-C4' energy: -160.184
flat angles P-C4'-P energy: -94.556
tors. eta vs tors. theta energy: -200.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -2110.442157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.442157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.442157 (E_RNA)
where:
Base-Base interactions energy: -1380.700
where: short stacking energy: -595.147
Base-Backbone interact. energy: -2.664
local terms energy: -727.078289
where:
bonds (distance) C4'-P energy: -134.679
bonds (distance) P-C4' energy: -137.863
flat angles C4'-P-C4' energy: -168.493
flat angles P-C4'-P energy: -106.451
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: 6, replica: 10
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1615.338654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.338654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.338654 (E_RNA)
where:
Base-Base interactions energy: -1017.687
where: short stacking energy: -465.068
Base-Backbone interact. energy: 2.450
local terms energy: -600.102141
where:
bonds (distance) C4'-P energy: -129.860
bonds (distance) P-C4' energy: -140.415
flat angles C4'-P-C4' energy: -138.940
flat angles P-C4'-P energy: -95.406
tors. eta vs tors. theta energy: -95.480
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: 7
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1378.927501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.927501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.927501 (E_RNA)
where:
Base-Base interactions energy: -827.915
where: short stacking energy: -375.166
Base-Backbone interact. energy: -1.907
local terms energy: -549.105585
where:
bonds (distance) C4'-P energy: -138.584
bonds (distance) P-C4' energy: -125.806
flat angles C4'-P-C4' energy: -138.548
flat angles P-C4'-P energy: -80.182
tors. eta vs tors. theta energy: -65.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1272.324819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.324819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.324819 (E_RNA)
where:
Base-Base interactions energy: -759.479
where: short stacking energy: -354.660
Base-Backbone interact. energy: -1.824
local terms energy: -511.021629
where:
bonds (distance) C4'-P energy: -115.104
bonds (distance) P-C4' energy: -126.409
flat angles C4'-P-C4' energy: -147.002
flat angles P-C4'-P energy: -70.744
tors. eta vs tors. theta energy: -51.763
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: 176
Temperature: 1.300000
Total energy: -735.783199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.783199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.783199 (E_RNA)
where:
Base-Base interactions energy: -332.052
where: short stacking energy: -176.727
Base-Backbone interact. energy: 3.627
local terms energy: -407.358056
where:
bonds (distance) C4'-P energy: -131.156
bonds (distance) P-C4' energy: -120.807
flat angles C4'-P-C4' energy: -114.266
flat angles P-C4'-P energy: -59.274
tors. eta vs tors. theta energy: 18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -538.677001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.677001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.677001 (E_RNA)
where:
Base-Base interactions energy: -184.755
where: short stacking energy: -159.408
Base-Backbone interact. energy: 5.471
local terms energy: -359.392317
where:
bonds (distance) C4'-P energy: -94.110
bonds (distance) P-C4' energy: -131.146
flat angles C4'-P-C4' energy: -105.359
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: 20.037
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: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2653.707697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.707697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.707697 (E_RNA)
where:
Base-Base interactions energy: -1844.266
where: short stacking energy: -748.826
Base-Backbone interact. energy: -0.465
local terms energy: -808.977360
where:
bonds (distance) C4'-P energy: -150.827
bonds (distance) P-C4' energy: -153.795
flat angles C4'-P-C4' energy: -178.344
flat angles P-C4'-P energy: -102.746
tors. eta vs tors. theta energy: -223.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -2421.744544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.744544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.744544 (E_RNA)
where:
Base-Base interactions energy: -1665.773
where: short stacking energy: -687.468
Base-Backbone interact. energy: -5.365
local terms energy: -750.606351
where:
bonds (distance) C4'-P energy: -138.463
bonds (distance) P-C4' energy: -151.694
flat angles C4'-P-C4' energy: -166.784
flat angles P-C4'-P energy: -93.036
tors. eta vs tors. theta energy: -200.630
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: 8
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -2346.787752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.787752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.787752 (E_RNA)
where:
Base-Base interactions energy: -1580.654
where: short stacking energy: -668.950
Base-Backbone interact. energy: -4.224
local terms energy: -761.909007
where:
bonds (distance) C4'-P energy: -143.942
bonds (distance) P-C4' energy: -156.311
flat angles C4'-P-C4' energy: -163.955
flat angles P-C4'-P energy: -92.617
tors. eta vs tors. theta energy: -205.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -2295.361601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.361601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.361601 (E_RNA)
where:
Base-Base interactions energy: -1566.218
where: short stacking energy: -679.412
Base-Backbone interact. energy: -0.315
local terms energy: -728.827978
where:
bonds (distance) C4'-P energy: -129.335
bonds (distance) P-C4' energy: -138.825
flat angles C4'-P-C4' energy: -157.561
flat angles P-C4'-P energy: -108.657
tors. eta vs tors. theta energy: -194.450
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: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -2076.434973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.434973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.434973 (E_RNA)
where:
Base-Base interactions energy: -1417.511
where: short stacking energy: -607.467
Base-Backbone interact. energy: -0.501
local terms energy: -658.422367
where:
bonds (distance) C4'-P energy: -133.102
bonds (distance) P-C4' energy: -123.050
flat angles C4'-P-C4' energy: -150.747
flat angles P-C4'-P energy: -90.154
tors. eta vs tors. theta energy: -161.369
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: 10
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1622.055038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.055038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.055038 (E_RNA)
where:
Base-Base interactions energy: -1012.339
where: short stacking energy: -465.391
Base-Backbone interact. energy: -2.770
local terms energy: -606.946404
where:
bonds (distance) C4'-P energy: -126.987
bonds (distance) P-C4' energy: -130.008
flat angles C4'-P-C4' energy: -146.118
flat angles P-C4'-P energy: -90.401
tors. eta vs tors. theta energy: -113.433
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: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1429.963729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.963729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.963729 (E_RNA)
where:
Base-Base interactions energy: -882.428
where: short stacking energy: -410.570
Base-Backbone interact. energy: -2.004
local terms energy: -545.531854
where:
bonds (distance) C4'-P energy: -110.657
bonds (distance) P-C4' energy: -135.105
flat angles C4'-P-C4' energy: -136.165
flat angles P-C4'-P energy: -81.955
tors. eta vs tors. theta energy: -81.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1331.746291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.746291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.746291 (E_RNA)
where:
Base-Base interactions energy: -821.587
where: short stacking energy: -405.420
Base-Backbone interact. energy: -2.354
local terms energy: -507.805470
where:
bonds (distance) C4'-P energy: -107.616
bonds (distance) P-C4' energy: -112.828
flat angles C4'-P-C4' energy: -115.198
flat angles P-C4'-P energy: -102.696
tors. eta vs tors. theta energy: -69.467
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: 177
Temperature: 1.300000
Total energy: -740.748620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.748620 (E_RNA)
where:
Base-Base interactions energy: -342.358
where: short stacking energy: -205.865
Base-Backbone interact. energy: 0.028
local terms energy: -398.418233
where:
bonds (distance) C4'-P energy: -122.410
bonds (distance) P-C4' energy: -124.583
flat angles C4'-P-C4' energy: -97.729
flat angles P-C4'-P energy: -59.625
tors. eta vs tors. theta energy: 5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -559.574320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.574320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.574320 (E_RNA)
where:
Base-Base interactions energy: -160.947
where: short stacking energy: -114.368
Base-Backbone interact. energy: -1.703
local terms energy: -396.924457
where:
bonds (distance) C4'-P energy: -132.248
bonds (distance) P-C4' energy: -132.826
flat angles C4'-P-C4' energy: -115.039
flat angles P-C4'-P energy: -66.477
tors. eta vs tors. theta energy: 49.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2650.854445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2650.854445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2650.854445 (E_RNA)
where:
Base-Base interactions energy: -1815.853
where: short stacking energy: -740.651
Base-Backbone interact. energy: -2.967
local terms energy: -832.033999
where:
bonds (distance) C4'-P energy: -160.282
bonds (distance) P-C4' energy: -156.915
flat angles C4'-P-C4' energy: -175.022
flat angles P-C4'-P energy: -109.575
tors. eta vs tors. theta energy: -230.240
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: 178
Temperature: 0.950000
Total energy: -2439.166615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.166615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.166615 (E_RNA)
where:
Base-Base interactions energy: -1680.235
where: short stacking energy: -680.689
Base-Backbone interact. energy: -6.694
local terms energy: -752.237517
where:
bonds (distance) C4'-P energy: -133.008
bonds (distance) P-C4' energy: -149.635
flat angles C4'-P-C4' energy: -164.075
flat angles P-C4'-P energy: -99.868
tors. eta vs tors. theta energy: -205.652
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: 3, replica: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -2336.867262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.867262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.867262 (E_RNA)
where:
Base-Base interactions energy: -1587.481
where: short stacking energy: -645.286
Base-Backbone interact. energy: 3.286
local terms energy: -752.672687
where:
bonds (distance) C4'-P energy: -148.319
bonds (distance) P-C4' energy: -137.918
flat angles C4'-P-C4' energy: -160.963
flat angles P-C4'-P energy: -114.151
tors. eta vs tors. theta energy: -191.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -2195.030512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.030512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.030512 (E_RNA)
where:
Base-Base interactions energy: -1469.511
where: short stacking energy: -653.171
Base-Backbone interact. energy: -5.559
local terms energy: -719.961015
where:
bonds (distance) C4'-P energy: -144.307
bonds (distance) P-C4' energy: -135.474
flat angles C4'-P-C4' energy: -152.418
flat angles P-C4'-P energy: -99.795
tors. eta vs tors. theta energy: -187.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -2090.949605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.949605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.949605 (E_RNA)
where:
Base-Base interactions energy: -1411.807
where: short stacking energy: -612.199
Base-Backbone interact. energy: 0.889
local terms energy: -680.031690
where:
bonds (distance) C4'-P energy: -138.231
bonds (distance) P-C4' energy: -125.086
flat angles C4'-P-C4' energy: -157.614
flat angles P-C4'-P energy: -82.381
tors. eta vs tors. theta energy: -176.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1673.366551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.366551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.366551 (E_RNA)
where:
Base-Base interactions energy: -1036.262
where: short stacking energy: -473.475
Base-Backbone interact. energy: -2.615
local terms energy: -634.490021
where:
bonds (distance) C4'-P energy: -142.345
bonds (distance) P-C4' energy: -144.588
flat angles C4'-P-C4' energy: -135.272
flat angles P-C4'-P energy: -85.874
tors. eta vs tors. theta energy: -126.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1395.309359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.309359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.309359 (E_RNA)
where:
Base-Base interactions energy: -818.681
where: short stacking energy: -389.004
Base-Backbone interact. energy: -0.889
local terms energy: -575.739978
where:
bonds (distance) C4'-P energy: -146.623
bonds (distance) P-C4' energy: -154.984
flat angles C4'-P-C4' energy: -137.595
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -62.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1355.358815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.358815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.358815 (E_RNA)
where:
Base-Base interactions energy: -851.049
where: short stacking energy: -381.204
Base-Backbone interact. energy: 0.969
local terms energy: -505.278739
where:
bonds (distance) C4'-P energy: -137.253
bonds (distance) P-C4' energy: -114.719
flat angles C4'-P-C4' energy: -128.226
flat angles P-C4'-P energy: -59.683
tors. eta vs tors. theta energy: -65.397
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: 178
Temperature: 1.300000
Total energy: -752.779526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.779526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.779526 (E_RNA)
where:
Base-Base interactions energy: -337.868
where: short stacking energy: -208.603
Base-Backbone interact. energy: 0.567
local terms energy: -415.478299
where:
bonds (distance) C4'-P energy: -116.927
bonds (distance) P-C4' energy: -134.959
flat angles C4'-P-C4' energy: -105.163
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: 1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -537.733608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.733608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.733608 (E_RNA)
where:
Base-Base interactions energy: -164.801
where: short stacking energy: -134.496
Base-Backbone interact. energy: 3.998
local terms energy: -376.930432
where:
bonds (distance) C4'-P energy: -124.868
bonds (distance) P-C4' energy: -121.175
flat angles C4'-P-C4' energy: -102.417
flat angles P-C4'-P energy: -67.119
tors. eta vs tors. theta energy: 38.648
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: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2663.080442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.080442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.080442 (E_RNA)
where:
Base-Base interactions energy: -1827.477
where: short stacking energy: -756.739
Base-Backbone interact. energy: -1.333
local terms energy: -834.270067
where:
bonds (distance) C4'-P energy: -146.648
bonds (distance) P-C4' energy: -158.315
flat angles C4'-P-C4' energy: -174.804
flat angles P-C4'-P energy: -124.063
tors. eta vs tors. theta energy: -230.440
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: 3
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -2462.021912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2462.021912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2462.021912 (E_RNA)
where:
Base-Base interactions energy: -1674.189
where: short stacking energy: -682.169
Base-Backbone interact. energy: -3.256
local terms energy: -784.576843
where:
bonds (distance) C4'-P energy: -160.211
bonds (distance) P-C4' energy: -141.408
flat angles C4'-P-C4' energy: -167.406
flat angles P-C4'-P energy: -111.191
tors. eta vs tors. theta energy: -204.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -2360.301451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.301451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.301451 (E_RNA)
where:
Base-Base interactions energy: -1611.188
where: short stacking energy: -648.572
Base-Backbone interact. energy: -0.394
local terms energy: -748.719207
where:
bonds (distance) C4'-P energy: -144.926
bonds (distance) P-C4' energy: -148.226
flat angles C4'-P-C4' energy: -152.308
flat angles P-C4'-P energy: -115.743
tors. eta vs tors. theta energy: -187.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -2170.416523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.416523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.416523 (E_RNA)
where:
Base-Base interactions energy: -1460.857
where: short stacking energy: -624.063
Base-Backbone interact. energy: -3.768
local terms energy: -705.791546
where:
bonds (distance) C4'-P energy: -136.401
bonds (distance) P-C4' energy: -141.472
flat angles C4'-P-C4' energy: -157.292
flat angles P-C4'-P energy: -82.958
tors. eta vs tors. theta energy: -187.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -2101.616563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.616563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.616563 (E_RNA)
where:
Base-Base interactions energy: -1419.014
where: short stacking energy: -600.993
Base-Backbone interact. energy: -2.913
local terms energy: -679.689092
where:
bonds (distance) C4'-P energy: -137.447
bonds (distance) P-C4' energy: -128.511
flat angles C4'-P-C4' energy: -153.807
flat angles P-C4'-P energy: -99.160
tors. eta vs tors. theta energy: -160.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1763.813968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.813968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.813968 (E_RNA)
where:
Base-Base interactions energy: -1136.793
where: short stacking energy: -513.751
Base-Backbone interact. energy: 0.296
local terms energy: -627.317039
where:
bonds (distance) C4'-P energy: -128.062
bonds (distance) P-C4' energy: -133.362
flat angles C4'-P-C4' energy: -155.061
flat angles P-C4'-P energy: -88.837
tors. eta vs tors. theta energy: -121.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1396.053933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.053933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.053933 (E_RNA)
where:
Base-Base interactions energy: -864.984
where: short stacking energy: -411.629
Base-Backbone interact. energy: -3.878
local terms energy: -527.191604
where:
bonds (distance) C4'-P energy: -128.288
bonds (distance) P-C4' energy: -104.090
flat angles C4'-P-C4' energy: -129.146
flat angles P-C4'-P energy: -77.939
tors. eta vs tors. theta energy: -87.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1268.942355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.942355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.942355 (E_RNA)
where:
Base-Base interactions energy: -751.691
where: short stacking energy: -384.639
Base-Backbone interact. energy: -4.457
local terms energy: -512.794230
where:
bonds (distance) C4'-P energy: -108.721
bonds (distance) P-C4' energy: -143.505
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -56.739
tors. eta vs tors. theta energy: -69.665
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: 179
Temperature: 1.300000
Total energy: -822.488503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.488503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.488503 (E_RNA)
where:
Base-Base interactions energy: -399.249
where: short stacking energy: -233.690
Base-Backbone interact. energy: -2.623
local terms energy: -420.616402
where:
bonds (distance) C4'-P energy: -116.505
bonds (distance) P-C4' energy: -141.985
flat angles C4'-P-C4' energy: -83.075
flat angles P-C4'-P energy: -65.543
tors. eta vs tors. theta energy: -13.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -540.589577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.589577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.589577 (E_RNA)
where:
Base-Base interactions energy: -186.291
where: short stacking energy: -148.144
Base-Backbone interact. energy: 4.071
local terms energy: -358.369918
where:
bonds (distance) C4'-P energy: -113.541
bonds (distance) P-C4' energy: -103.736
flat angles C4'-P-C4' energy: -113.011
flat angles P-C4'-P energy: -55.113
tors. eta vs tors. theta energy: 27.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2698.824816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2698.824816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2698.824816 (E_RNA)
where:
Base-Base interactions energy: -1877.431
where: short stacking energy: -760.781
Base-Backbone interact. energy: 5.306
local terms energy: -826.699735
where:
bonds (distance) C4'-P energy: -157.592
bonds (distance) P-C4' energy: -144.183
flat angles C4'-P-C4' energy: -181.237
flat angles P-C4'-P energy: -105.783
tors. eta vs tors. theta energy: -237.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -2440.108663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.108663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.108663 (E_RNA)
where:
Base-Base interactions energy: -1673.265
where: short stacking energy: -681.393
Base-Backbone interact. energy: -3.717
local terms energy: -763.126656
where:
bonds (distance) C4'-P energy: -154.484
bonds (distance) P-C4' energy: -147.629
flat angles C4'-P-C4' energy: -147.247
flat angles P-C4'-P energy: -107.609
tors. eta vs tors. theta energy: -206.157
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -2354.418279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.418279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.418279 (E_RNA)
where:
Base-Base interactions energy: -1610.335
where: short stacking energy: -653.211
Base-Backbone interact. energy: 0.116
local terms energy: -744.198609
where:
bonds (distance) C4'-P energy: -145.993
bonds (distance) P-C4' energy: -145.875
flat angles C4'-P-C4' energy: -152.201
flat angles P-C4'-P energy: -106.379
tors. eta vs tors. theta energy: -193.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -2238.364423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.364423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.364423 (E_RNA)
where:
Base-Base interactions energy: -1502.561
where: short stacking energy: -657.219
Base-Backbone interact. energy: -2.389
local terms energy: -733.414416
where:
bonds (distance) C4'-P energy: -135.763
bonds (distance) P-C4' energy: -142.543
flat angles C4'-P-C4' energy: -156.483
flat angles P-C4'-P energy: -103.003
tors. eta vs tors. theta energy: -195.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -2125.305377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.305377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.305377 (E_RNA)
where:
Base-Base interactions energy: -1444.895
where: short stacking energy: -589.669
Base-Backbone interact. energy: 4.217
local terms energy: -684.627589
where:
bonds (distance) C4'-P energy: -144.427
bonds (distance) P-C4' energy: -131.915
flat angles C4'-P-C4' energy: -153.909
flat angles P-C4'-P energy: -93.242
tors. eta vs tors. theta energy: -161.136
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: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1716.323310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.323310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.323310 (E_RNA)
where:
Base-Base interactions energy: -1122.904
where: short stacking energy: -492.978
Base-Backbone interact. energy: 4.344
local terms energy: -597.763248
where:
bonds (distance) C4'-P energy: -118.447
bonds (distance) P-C4' energy: -135.712
flat angles C4'-P-C4' energy: -136.142
flat angles P-C4'-P energy: -75.382
tors. eta vs tors. theta energy: -132.080
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: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1452.806432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.806432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.806432 (E_RNA)
where:
Base-Base interactions energy: -901.653
where: short stacking energy: -444.740
Base-Backbone interact. energy: -2.316
local terms energy: -548.837275
where:
bonds (distance) C4'-P energy: -116.025
bonds (distance) P-C4' energy: -127.220
flat angles C4'-P-C4' energy: -127.261
flat angles P-C4'-P energy: -81.494
tors. eta vs tors. theta energy: -96.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1250.571019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.571019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.571019 (E_RNA)
where:
Base-Base interactions energy: -719.169
where: short stacking energy: -342.624
Base-Backbone interact. energy: 2.531
local terms energy: -533.932500
where:
bonds (distance) C4'-P energy: -127.823
bonds (distance) P-C4' energy: -139.595
flat angles C4'-P-C4' energy: -127.097
flat angles P-C4'-P energy: -78.601
tors. eta vs tors. theta energy: -60.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -778.407582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.407582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.407582 (E_RNA)
where:
Base-Base interactions energy: -354.809
where: short stacking energy: -222.267
Base-Backbone interact. energy: -0.345
local terms energy: -423.253602
where:
bonds (distance) C4'-P energy: -115.987
bonds (distance) P-C4' energy: -125.888
flat angles C4'-P-C4' energy: -113.429
flat angles P-C4'-P energy: -61.685
tors. eta vs tors. theta energy: -6.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -548.390849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.390849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.390849 (E_RNA)
where:
Base-Base interactions energy: -236.438
where: short stacking energy: -141.481
Base-Backbone interact. energy: 5.166
local terms energy: -317.118250
where:
bonds (distance) C4'-P energy: -112.615
bonds (distance) P-C4' energy: -124.312
flat angles C4'-P-C4' energy: -72.230
flat angles P-C4'-P energy: -51.319
tors. eta vs tors. theta energy: 43.358
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: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2661.228835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.228835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.228835 (E_RNA)
where:
Base-Base interactions energy: -1853.049
where: short stacking energy: -760.825
Base-Backbone interact. energy: -3.716
local terms energy: -804.463610
where:
bonds (distance) C4'-P energy: -143.653
bonds (distance) P-C4' energy: -157.810
flat angles C4'-P-C4' energy: -167.582
flat angles P-C4'-P energy: -112.703
tors. eta vs tors. theta energy: -222.716
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: 181
Temperature: 0.950000
Total energy: -2472.913569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2472.913569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2472.913569 (E_RNA)
where:
Base-Base interactions energy: -1716.487
where: short stacking energy: -731.877
Base-Backbone interact. energy: -0.201
local terms energy: -756.225733
where:
bonds (distance) C4'-P energy: -136.026
bonds (distance) P-C4' energy: -144.190
flat angles C4'-P-C4' energy: -161.279
flat angles P-C4'-P energy: -94.777
tors. eta vs tors. theta energy: -219.953
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: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -2393.088870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2393.088870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2393.088870 (E_RNA)
where:
Base-Base interactions energy: -1646.399
where: short stacking energy: -705.687
Base-Backbone interact. energy: -1.101
local terms energy: -745.588747
where:
bonds (distance) C4'-P energy: -128.170
bonds (distance) P-C4' energy: -149.264
flat angles C4'-P-C4' energy: -158.820
flat angles P-C4'-P energy: -103.355
tors. eta vs tors. theta energy: -205.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -2163.506208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.506208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.506208 (E_RNA)
where:
Base-Base interactions energy: -1474.990
where: short stacking energy: -603.068
Base-Backbone interact. energy: 1.714
local terms energy: -690.229710
where:
bonds (distance) C4'-P energy: -119.957
bonds (distance) P-C4' energy: -140.390
flat angles C4'-P-C4' energy: -160.643
flat angles P-C4'-P energy: -88.835
tors. eta vs tors. theta energy: -180.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -2128.215134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.215134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.215134 (E_RNA)
where:
Base-Base interactions energy: -1441.037
where: short stacking energy: -606.541
Base-Backbone interact. energy: 0.531
local terms energy: -687.708915
where:
bonds (distance) C4'-P energy: -142.864
bonds (distance) P-C4' energy: -124.472
flat angles C4'-P-C4' energy: -156.329
flat angles P-C4'-P energy: -103.835
tors. eta vs tors. theta energy: -160.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1673.376995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.376995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.376995 (E_RNA)
where:
Base-Base interactions energy: -1071.578
where: short stacking energy: -465.222
Base-Backbone interact. energy: -1.168
local terms energy: -600.630980
where:
bonds (distance) C4'-P energy: -148.613
bonds (distance) P-C4' energy: -130.631
flat angles C4'-P-C4' energy: -140.613
flat angles P-C4'-P energy: -74.042
tors. eta vs tors. theta energy: -106.732
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: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1461.717429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.717429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.717429 (E_RNA)
where:
Base-Base interactions energy: -896.449
where: short stacking energy: -406.315
Base-Backbone interact. energy: 0.518
local terms energy: -565.786457
where:
bonds (distance) C4'-P energy: -118.364
bonds (distance) P-C4' energy: -144.037
flat angles C4'-P-C4' energy: -131.920
flat angles P-C4'-P energy: -89.283
tors. eta vs tors. theta energy: -82.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1308.229084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.229084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.229084 (E_RNA)
where:
Base-Base interactions energy: -803.658
where: short stacking energy: -369.771
Base-Backbone interact. energy: -2.261
local terms energy: -502.309555
where:
bonds (distance) C4'-P energy: -122.845
bonds (distance) P-C4' energy: -106.106
flat angles C4'-P-C4' energy: -137.102
flat angles P-C4'-P energy: -69.413
tors. eta vs tors. theta energy: -66.844
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: 181
Temperature: 1.300000
Total energy: -804.348366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.348366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.348366 (E_RNA)
where:
Base-Base interactions energy: -401.044
where: short stacking energy: -232.925
Base-Backbone interact. energy: -1.595
local terms energy: -401.709516
where:
bonds (distance) C4'-P energy: -100.759
bonds (distance) P-C4' energy: -122.713
flat angles C4'-P-C4' energy: -125.577
flat angles P-C4'-P energy: -52.177
tors. eta vs tors. theta energy: -0.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -596.875097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.875097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.875097 (E_RNA)
where:
Base-Base interactions energy: -203.271
where: short stacking energy: -174.069
Base-Backbone interact. energy: -0.538
local terms energy: -393.065982
where:
bonds (distance) C4'-P energy: -122.427
bonds (distance) P-C4' energy: -151.244
flat angles C4'-P-C4' energy: -90.056
flat angles P-C4'-P energy: -29.033
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2683.148221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.148221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.148221 (E_RNA)
where:
Base-Base interactions energy: -1872.129
where: short stacking energy: -743.966
Base-Backbone interact. energy: -0.773
local terms energy: -810.246031
where:
bonds (distance) C4'-P energy: -144.452
bonds (distance) P-C4' energy: -146.906
flat angles C4'-P-C4' energy: -179.494
flat angles P-C4'-P energy: -106.143
tors. eta vs tors. theta energy: -233.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -2417.380775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.380775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.380775 (E_RNA)
where:
Base-Base interactions energy: -1651.658
where: short stacking energy: -670.196
Base-Backbone interact. energy: -2.421
local terms energy: -763.301940
where:
bonds (distance) C4'-P energy: -149.623
bonds (distance) P-C4' energy: -140.855
flat angles C4'-P-C4' energy: -161.139
flat angles P-C4'-P energy: -108.912
tors. eta vs tors. theta energy: -202.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -2342.834455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.834455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.834455 (E_RNA)
where:
Base-Base interactions energy: -1601.246
where: short stacking energy: -680.549
Base-Backbone interact. energy: -2.889
local terms energy: -738.699463
where:
bonds (distance) C4'-P energy: -124.479
bonds (distance) P-C4' energy: -134.053
flat angles C4'-P-C4' energy: -168.592
flat angles P-C4'-P energy: -109.519
tors. eta vs tors. theta energy: -202.057
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: 4
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -2184.128559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2184.128559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2184.128559 (E_RNA)
where:
Base-Base interactions energy: -1444.389
where: short stacking energy: -649.303
Base-Backbone interact. energy: -3.267
local terms energy: -736.472228
where:
bonds (distance) C4'-P energy: -140.911
bonds (distance) P-C4' energy: -138.805
flat angles C4'-P-C4' energy: -149.131
flat angles P-C4'-P energy: -112.518
tors. eta vs tors. theta energy: -195.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -2106.626074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.626074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.626074 (E_RNA)
where:
Base-Base interactions energy: -1429.610
where: short stacking energy: -610.794
Base-Backbone interact. energy: -1.011
local terms energy: -676.005984
where:
bonds (distance) C4'-P energy: -105.722
bonds (distance) P-C4' energy: -127.639
flat angles C4'-P-C4' energy: -164.457
flat angles P-C4'-P energy: -105.121
tors. eta vs tors. theta energy: -173.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1635.482358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.482358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.482358 (E_RNA)
where:
Base-Base interactions energy: -1046.974
where: short stacking energy: -475.054
Base-Backbone interact. energy: 0.078
local terms energy: -588.586446
where:
bonds (distance) C4'-P energy: -133.331
bonds (distance) P-C4' energy: -135.208
flat angles C4'-P-C4' energy: -130.327
flat angles P-C4'-P energy: -90.858
tors. eta vs tors. theta energy: -98.861
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: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1397.326629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.326629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.326629 (E_RNA)
where:
Base-Base interactions energy: -883.859
where: short stacking energy: -422.864
Base-Backbone interact. energy: 1.527
local terms energy: -514.994682
where:
bonds (distance) C4'-P energy: -102.377
bonds (distance) P-C4' energy: -117.576
flat angles C4'-P-C4' energy: -127.993
flat angles P-C4'-P energy: -83.039
tors. eta vs tors. theta energy: -84.010
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: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1282.882469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.882469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.882469 (E_RNA)
where:
Base-Base interactions energy: -739.456
where: short stacking energy: -351.477
Base-Backbone interact. energy: 1.396
local terms energy: -544.822420
where:
bonds (distance) C4'-P energy: -124.841
bonds (distance) P-C4' energy: -157.154
flat angles C4'-P-C4' energy: -118.193
flat angles P-C4'-P energy: -79.587
tors. eta vs tors. theta energy: -65.048
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: 182
Temperature: 1.300000
Total energy: -819.459400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.459400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.459400 (E_RNA)
where:
Base-Base interactions energy: -402.756
where: short stacking energy: -238.646
Base-Backbone interact. energy: 4.294
local terms energy: -420.997123
where:
bonds (distance) C4'-P energy: -136.054
bonds (distance) P-C4' energy: -115.681
flat angles C4'-P-C4' energy: -110.729
flat angles P-C4'-P energy: -75.371
tors. eta vs tors. theta energy: 16.837
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: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -564.191209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.191209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.191209 (E_RNA)
where:
Base-Base interactions energy: -215.191
where: short stacking energy: -185.841
Base-Backbone interact. energy: -1.229
local terms energy: -347.770830
where:
bonds (distance) C4'-P energy: -116.744
bonds (distance) P-C4' energy: -109.178
flat angles C4'-P-C4' energy: -93.770
flat angles P-C4'-P energy: -56.045
tors. eta vs tors. theta energy: 27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2715.347088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.347088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.347088 (E_RNA)
where:
Base-Base interactions energy: -1868.009
where: short stacking energy: -745.445
Base-Backbone interact. energy: -1.284
local terms energy: -846.054271
where:
bonds (distance) C4'-P energy: -150.203
bonds (distance) P-C4' energy: -168.391
flat angles C4'-P-C4' energy: -178.580
flat angles P-C4'-P energy: -123.024
tors. eta vs tors. theta energy: -225.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -2438.735629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2438.735629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2438.735629 (E_RNA)
where:
Base-Base interactions energy: -1676.798
where: short stacking energy: -675.828
Base-Backbone interact. energy: -2.196
local terms energy: -759.742034
where:
bonds (distance) C4'-P energy: -133.412
bonds (distance) P-C4' energy: -147.677
flat angles C4'-P-C4' energy: -160.163
flat angles P-C4'-P energy: -110.501
tors. eta vs tors. theta energy: -207.989
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: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -2402.283884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.283884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.283884 (E_RNA)
where:
Base-Base interactions energy: -1622.308
where: short stacking energy: -688.720
Base-Backbone interact. energy: -0.388
local terms energy: -779.587465
where:
bonds (distance) C4'-P energy: -149.168
bonds (distance) P-C4' energy: -139.712
flat angles C4'-P-C4' energy: -159.740
flat angles P-C4'-P energy: -121.731
tors. eta vs tors. theta energy: -209.237
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: 183
Temperature: 1.050000
Total energy: -2216.614132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.614132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.614132 (E_RNA)
where:
Base-Base interactions energy: -1480.229
where: short stacking energy: -631.534
Base-Backbone interact. energy: 0.818
local terms energy: -737.203189
where:
bonds (distance) C4'-P energy: -152.641
bonds (distance) P-C4' energy: -124.899
flat angles C4'-P-C4' energy: -161.185
flat angles P-C4'-P energy: -105.445
tors. eta vs tors. theta energy: -193.033
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: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -2103.610333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.610333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.610333 (E_RNA)
where:
Base-Base interactions energy: -1413.782
where: short stacking energy: -565.466
Base-Backbone interact. energy: -3.635
local terms energy: -686.192930
where:
bonds (distance) C4'-P energy: -129.701
bonds (distance) P-C4' energy: -142.813
flat angles C4'-P-C4' energy: -139.920
flat angles P-C4'-P energy: -103.361
tors. eta vs tors. theta energy: -170.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1619.993899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.993899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.993899 (E_RNA)
where:
Base-Base interactions energy: -991.972
where: short stacking energy: -438.053
Base-Backbone interact. energy: 0.687
local terms energy: -628.708232
where:
bonds (distance) C4'-P energy: -139.623
bonds (distance) P-C4' energy: -149.512
flat angles C4'-P-C4' energy: -141.959
flat angles P-C4'-P energy: -98.877
tors. eta vs tors. theta energy: -98.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1470.221554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.221554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.221554 (E_RNA)
where:
Base-Base interactions energy: -904.297
where: short stacking energy: -437.512
Base-Backbone interact. energy: 0.647
local terms energy: -566.571359
where:
bonds (distance) C4'-P energy: -127.783
bonds (distance) P-C4' energy: -139.538
flat angles C4'-P-C4' energy: -131.661
flat angles P-C4'-P energy: -81.048
tors. eta vs tors. theta energy: -86.542
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: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1355.737757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.737757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.737757 (E_RNA)
where:
Base-Base interactions energy: -825.531
where: short stacking energy: -364.498
Base-Backbone interact. energy: -0.806
local terms energy: -529.400373
where:
bonds (distance) C4'-P energy: -134.235
bonds (distance) P-C4' energy: -136.128
flat angles C4'-P-C4' energy: -124.034
flat angles P-C4'-P energy: -73.394
tors. eta vs tors. theta energy: -61.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -804.974960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.974960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.974960 (E_RNA)
where:
Base-Base interactions energy: -378.369
where: short stacking energy: -203.702
Base-Backbone interact. energy: 1.330
local terms energy: -427.935769
where:
bonds (distance) C4'-P energy: -113.244
bonds (distance) P-C4' energy: -139.265
flat angles C4'-P-C4' energy: -111.775
flat angles P-C4'-P energy: -62.859
tors. eta vs tors. theta energy: -0.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -537.133134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.133134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.133134 (E_RNA)
where:
Base-Base interactions energy: -146.369
where: short stacking energy: -117.660
Base-Backbone interact. energy: 2.179
local terms energy: -392.943265
where:
bonds (distance) C4'-P energy: -129.504
bonds (distance) P-C4' energy: -126.187
flat angles C4'-P-C4' energy: -113.533
flat angles P-C4'-P energy: -66.876
tors. eta vs tors. theta energy: 43.156
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: 2
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2675.546842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.546842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.546842 (E_RNA)
where:
Base-Base interactions energy: -1844.792
where: short stacking energy: -761.073
Base-Backbone interact. energy: -4.046
local terms energy: -826.709594
where:
bonds (distance) C4'-P energy: -156.181
bonds (distance) P-C4' energy: -149.706
flat angles C4'-P-C4' energy: -171.917
flat angles P-C4'-P energy: -117.281
tors. eta vs tors. theta energy: -231.624
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: 184
Temperature: 0.950000
Total energy: -2441.036701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.036701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.036701 (E_RNA)
where:
Base-Base interactions energy: -1665.290
where: short stacking energy: -683.907
Base-Backbone interact. energy: -1.772
local terms energy: -773.975232
where:
bonds (distance) C4'-P energy: -145.878
bonds (distance) P-C4' energy: -142.483
flat angles C4'-P-C4' energy: -164.314
flat angles P-C4'-P energy: -113.259
tors. eta vs tors. theta energy: -208.041
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: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -2435.545468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.545468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.545468 (E_RNA)
where:
Base-Base interactions energy: -1654.467
where: short stacking energy: -692.189
Base-Backbone interact. energy: -1.753
local terms energy: -779.325723
where:
bonds (distance) C4'-P energy: -151.121
bonds (distance) P-C4' energy: -157.094
flat angles C4'-P-C4' energy: -153.038
flat angles P-C4'-P energy: -105.988
tors. eta vs tors. theta energy: -212.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -2264.284176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.284176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.284176 (E_RNA)
where:
Base-Base interactions energy: -1506.926
where: short stacking energy: -649.122
Base-Backbone interact. energy: -2.913
local terms energy: -754.445158
where:
bonds (distance) C4'-P energy: -150.970
bonds (distance) P-C4' energy: -133.304
flat angles C4'-P-C4' energy: -156.758
flat angles P-C4'-P energy: -104.739
tors. eta vs tors. theta energy: -208.675
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: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -2132.845472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.845472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.845472 (E_RNA)
where:
Base-Base interactions energy: -1468.155
where: short stacking energy: -578.379
Base-Backbone interact. energy: -0.648
local terms energy: -664.042066
where:
bonds (distance) C4'-P energy: -129.819
bonds (distance) P-C4' energy: -122.230
flat angles C4'-P-C4' energy: -146.499
flat angles P-C4'-P energy: -100.864
tors. eta vs tors. theta energy: -164.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1599.712164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.712164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.712164 (E_RNA)
where:
Base-Base interactions energy: -1018.724
where: short stacking energy: -464.651
Base-Backbone interact. energy: -3.675
local terms energy: -577.313322
where:
bonds (distance) C4'-P energy: -135.212
bonds (distance) P-C4' energy: -118.201
flat angles C4'-P-C4' energy: -139.308
flat angles P-C4'-P energy: -89.403
tors. eta vs tors. theta energy: -95.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1459.696760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.696760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.696760 (E_RNA)
where:
Base-Base interactions energy: -897.144
where: short stacking energy: -429.007
Base-Backbone interact. energy: 0.833
local terms energy: -563.385724
where:
bonds (distance) C4'-P energy: -130.562
bonds (distance) P-C4' energy: -120.313
flat angles C4'-P-C4' energy: -146.693
flat angles P-C4'-P energy: -70.274
tors. eta vs tors. theta energy: -95.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1339.286544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.286544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.286544 (E_RNA)
where:
Base-Base interactions energy: -798.572
where: short stacking energy: -381.164
Base-Backbone interact. energy: -2.468
local terms energy: -538.247461
where:
bonds (distance) C4'-P energy: -129.145
bonds (distance) P-C4' energy: -121.129
flat angles C4'-P-C4' energy: -133.585
flat angles P-C4'-P energy: -77.864
tors. eta vs tors. theta energy: -76.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -797.891279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.891279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.891279 (E_RNA)
where:
Base-Base interactions energy: -367.127
where: short stacking energy: -199.888
Base-Backbone interact. energy: -3.845
local terms energy: -426.919151
where:
bonds (distance) C4'-P energy: -121.094
bonds (distance) P-C4' energy: -131.657
flat angles C4'-P-C4' energy: -106.438
flat angles P-C4'-P energy: -78.021
tors. eta vs tors. theta energy: 10.291
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: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -576.055264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.055264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.055264 (E_RNA)
where:
Base-Base interactions energy: -211.166
where: short stacking energy: -143.118
Base-Backbone interact. energy: -0.185
local terms energy: -364.704565
where:
bonds (distance) C4'-P energy: -116.605
bonds (distance) P-C4' energy: -126.314
flat angles C4'-P-C4' energy: -85.638
flat angles P-C4'-P energy: -63.536
tors. eta vs tors. theta energy: 27.388
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: 2
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2676.888596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.888596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.888596 (E_RNA)
where:
Base-Base interactions energy: -1858.651
where: short stacking energy: -761.254
Base-Backbone interact. energy: -1.564
local terms energy: -816.673564
where:
bonds (distance) C4'-P energy: -150.422
bonds (distance) P-C4' energy: -141.470
flat angles C4'-P-C4' energy: -186.857
flat angles P-C4'-P energy: -105.486
tors. eta vs tors. theta energy: -232.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -2466.349981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.349981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.349981 (E_RNA)
where:
Base-Base interactions energy: -1693.307
where: short stacking energy: -689.073
Base-Backbone interact. energy: -5.936
local terms energy: -767.106850
where:
bonds (distance) C4'-P energy: -146.199
bonds (distance) P-C4' energy: -139.848
flat angles C4'-P-C4' energy: -163.602
flat angles P-C4'-P energy: -110.379
tors. eta vs tors. theta energy: -207.079
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: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -2435.569085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.569085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.569085 (E_RNA)
where:
Base-Base interactions energy: -1666.164
where: short stacking energy: -675.955
Base-Backbone interact. energy: -4.081
local terms energy: -765.324358
where:
bonds (distance) C4'-P energy: -144.562
bonds (distance) P-C4' energy: -136.795
flat angles C4'-P-C4' energy: -158.324
flat angles P-C4'-P energy: -117.547
tors. eta vs tors. theta energy: -208.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -2234.603595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.603595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.603595 (E_RNA)
where:
Base-Base interactions energy: -1509.378
where: short stacking energy: -676.149
Base-Backbone interact. energy: 4.699
local terms energy: -729.924641
where:
bonds (distance) C4'-P energy: -129.985
bonds (distance) P-C4' energy: -141.094
flat angles C4'-P-C4' energy: -161.882
flat angles P-C4'-P energy: -102.132
tors. eta vs tors. theta energy: -194.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -2129.249711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.249711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.249711 (E_RNA)
where:
Base-Base interactions energy: -1451.999
where: short stacking energy: -598.646
Base-Backbone interact. energy: 0.095
local terms energy: -677.346459
where:
bonds (distance) C4'-P energy: -141.135
bonds (distance) P-C4' energy: -116.956
flat angles C4'-P-C4' energy: -156.567
flat angles P-C4'-P energy: -89.838
tors. eta vs tors. theta energy: -172.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1645.579291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.579291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.579291 (E_RNA)
where:
Base-Base interactions energy: -1037.691
where: short stacking energy: -467.281
Base-Backbone interact. energy: -1.986
local terms energy: -605.902356
where:
bonds (distance) C4'-P energy: -124.063
bonds (distance) P-C4' energy: -133.025
flat angles C4'-P-C4' energy: -144.727
flat angles P-C4'-P energy: -89.783
tors. eta vs tors. theta energy: -114.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1464.836450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.836450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.836450 (E_RNA)
where:
Base-Base interactions energy: -892.109
where: short stacking energy: -414.334
Base-Backbone interact. energy: -0.512
local terms energy: -572.215386
where:
bonds (distance) C4'-P energy: -108.165
bonds (distance) P-C4' energy: -150.358
flat angles C4'-P-C4' energy: -121.089
flat angles P-C4'-P energy: -89.813
tors. eta vs tors. theta energy: -102.790
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: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1277.580710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.580710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.580710 (E_RNA)
where:
Base-Base interactions energy: -760.853
where: short stacking energy: -361.409
Base-Backbone interact. energy: 0.723
local terms energy: -517.450613
where:
bonds (distance) C4'-P energy: -123.971
bonds (distance) P-C4' energy: -142.285
flat angles C4'-P-C4' energy: -117.943
flat angles P-C4'-P energy: -80.430
tors. eta vs tors. theta energy: -52.823
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: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -793.932153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.932153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.932153 (E_RNA)
where:
Base-Base interactions energy: -393.637
where: short stacking energy: -206.823
Base-Backbone interact. energy: 4.190
local terms energy: -404.485274
where:
bonds (distance) C4'-P energy: -115.796
bonds (distance) P-C4' energy: -138.076
flat angles C4'-P-C4' energy: -125.614
flat angles P-C4'-P energy: -39.091
tors. eta vs tors. theta energy: 14.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -567.972679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.972679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.972679 (E_RNA)
where:
Base-Base interactions energy: -179.757
where: short stacking energy: -143.243
Base-Backbone interact. energy: 0.551
local terms energy: -388.766436
where:
bonds (distance) C4'-P energy: -125.319
bonds (distance) P-C4' energy: -121.461
flat angles C4'-P-C4' energy: -108.750
flat angles P-C4'-P energy: -59.549
tors. eta vs tors. theta energy: 26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2654.195261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.195261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.195261 (E_RNA)
where:
Base-Base interactions energy: -1841.430
where: short stacking energy: -750.025
Base-Backbone interact. energy: -2.737
local terms energy: -810.027553
where:
bonds (distance) C4'-P energy: -152.320
bonds (distance) P-C4' energy: -149.763
flat angles C4'-P-C4' energy: -169.669
flat angles P-C4'-P energy: -109.881
tors. eta vs tors. theta energy: -228.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -2447.140021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2447.140021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2447.140021 (E_RNA)
where:
Base-Base interactions energy: -1666.037
where: short stacking energy: -670.782
Base-Backbone interact. energy: -3.666
local terms energy: -777.436983
where:
bonds (distance) C4'-P energy: -154.501
bonds (distance) P-C4' energy: -157.986
flat angles C4'-P-C4' energy: -151.013
flat angles P-C4'-P energy: -109.318
tors. eta vs tors. theta energy: -204.619
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: 3, replica: 8
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -2439.749807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.749807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.749807 (E_RNA)
where:
Base-Base interactions energy: -1691.015
where: short stacking energy: -710.558
Base-Backbone interact. energy: 0.775
local terms energy: -749.509077
where:
bonds (distance) C4'-P energy: -144.352
bonds (distance) P-C4' energy: -141.131
flat angles C4'-P-C4' energy: -151.698
flat angles P-C4'-P energy: -95.597
tors. eta vs tors. theta energy: -216.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -2199.088041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2199.088041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2199.088041 (E_RNA)
where:
Base-Base interactions energy: -1447.097
where: short stacking energy: -668.028
Base-Backbone interact. energy: 2.332
local terms energy: -754.322316
where:
bonds (distance) C4'-P energy: -133.259
bonds (distance) P-C4' energy: -149.942
flat angles C4'-P-C4' energy: -167.068
flat angles P-C4'-P energy: -111.886
tors. eta vs tors. theta energy: -192.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -2140.624530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.624530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.624530 (E_RNA)
where:
Base-Base interactions energy: -1473.345
where: short stacking energy: -603.383
Base-Backbone interact. energy: 0.112
local terms energy: -667.392023
where:
bonds (distance) C4'-P energy: -133.935
bonds (distance) P-C4' energy: -120.145
flat angles C4'-P-C4' energy: -149.008
flat angles P-C4'-P energy: -91.510
tors. eta vs tors. theta energy: -172.795
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: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1595.884035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.884035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.884035 (E_RNA)
where:
Base-Base interactions energy: -1002.249
where: short stacking energy: -457.266
Base-Backbone interact. energy: -0.604
local terms energy: -593.031009
where:
bonds (distance) C4'-P energy: -134.176
bonds (distance) P-C4' energy: -147.862
flat angles C4'-P-C4' energy: -143.121
flat angles P-C4'-P energy: -81.386
tors. eta vs tors. theta energy: -86.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1462.366394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.366394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.366394 (E_RNA)
where:
Base-Base interactions energy: -907.532
where: short stacking energy: -382.463
Base-Backbone interact. energy: -4.538
local terms energy: -550.295961
where:
bonds (distance) C4'-P energy: -123.227
bonds (distance) P-C4' energy: -123.961
flat angles C4'-P-C4' energy: -132.738
flat angles P-C4'-P energy: -73.867
tors. eta vs tors. theta energy: -96.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1290.377639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.377639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.377639 (E_RNA)
where:
Base-Base interactions energy: -765.726
where: short stacking energy: -376.973
Base-Backbone interact. energy: -1.755
local terms energy: -522.896358
where:
bonds (distance) C4'-P energy: -116.794
bonds (distance) P-C4' energy: -122.909
flat angles C4'-P-C4' energy: -138.459
flat angles P-C4'-P energy: -82.400
tors. eta vs tors. theta energy: -62.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -838.275327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.275327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.275327 (E_RNA)
where:
Base-Base interactions energy: -404.710
where: short stacking energy: -238.008
Base-Backbone interact. energy: 0.994
local terms energy: -434.559193
where:
bonds (distance) C4'-P energy: -114.549
bonds (distance) P-C4' energy: -127.963
flat angles C4'-P-C4' energy: -116.790
flat angles P-C4'-P energy: -62.723
tors. eta vs tors. theta energy: -12.535
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: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -568.467425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.467425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.467425 (E_RNA)
where:
Base-Base interactions energy: -172.768
where: short stacking energy: -131.108
Base-Backbone interact. energy: 0.647
local terms energy: -396.345700
where:
bonds (distance) C4'-P energy: -120.339
bonds (distance) P-C4' energy: -125.650
flat angles C4'-P-C4' energy: -111.157
flat angles P-C4'-P energy: -67.205
tors. eta vs tors. theta energy: 28.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2680.100880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.100880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.100880 (E_RNA)
where:
Base-Base interactions energy: -1855.195
where: short stacking energy: -756.276
Base-Backbone interact. energy: 3.930
local terms energy: -828.836115
where:
bonds (distance) C4'-P energy: -148.079
bonds (distance) P-C4' energy: -150.493
flat angles C4'-P-C4' energy: -181.907
flat angles P-C4'-P energy: -115.597
tors. eta vs tors. theta energy: -232.759
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: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -2493.419999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.419999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.419999 (E_RNA)
where:
Base-Base interactions energy: -1701.668
where: short stacking energy: -706.043
Base-Backbone interact. energy: -3.803
local terms energy: -787.949216
where:
bonds (distance) C4'-P energy: -145.783
bonds (distance) P-C4' energy: -145.275
flat angles C4'-P-C4' energy: -173.139
flat angles P-C4'-P energy: -110.887
tors. eta vs tors. theta energy: -212.865
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: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -2404.910646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2404.910646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2404.910646 (E_RNA)
where:
Base-Base interactions energy: -1647.031
where: short stacking energy: -672.668
Base-Backbone interact. energy: -6.624
local terms energy: -751.255494
where:
bonds (distance) C4'-P energy: -136.784
bonds (distance) P-C4' energy: -139.319
flat angles C4'-P-C4' energy: -159.498
flat angles P-C4'-P energy: -112.810
tors. eta vs tors. theta energy: -202.844
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: 4
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -2198.701808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.701808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.701808 (E_RNA)
where:
Base-Base interactions energy: -1449.557
where: short stacking energy: -642.711
Base-Backbone interact. energy: -6.540
local terms energy: -742.604963
where:
bonds (distance) C4'-P energy: -135.784
bonds (distance) P-C4' energy: -146.748
flat angles C4'-P-C4' energy: -159.701
flat angles P-C4'-P energy: -98.199
tors. eta vs tors. theta energy: -202.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -2103.226748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.226748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.226748 (E_RNA)
where:
Base-Base interactions energy: -1426.875
where: short stacking energy: -601.731
Base-Backbone interact. energy: -4.607
local terms energy: -671.744985
where:
bonds (distance) C4'-P energy: -135.754
bonds (distance) P-C4' energy: -114.269
flat angles C4'-P-C4' energy: -148.193
flat angles P-C4'-P energy: -101.701
tors. eta vs tors. theta energy: -171.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1593.056544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.056544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.056544 (E_RNA)
where:
Base-Base interactions energy: -1001.441
where: short stacking energy: -470.724
Base-Backbone interact. energy: -1.714
local terms energy: -589.901942
where:
bonds (distance) C4'-P energy: -147.093
bonds (distance) P-C4' energy: -124.659
flat angles C4'-P-C4' energy: -145.962
flat angles P-C4'-P energy: -79.359
tors. eta vs tors. theta energy: -92.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1455.580779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.580779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.580779 (E_RNA)
where:
Base-Base interactions energy: -864.449
where: short stacking energy: -369.847
Base-Backbone interact. energy: -1.320
local terms energy: -589.811820
where:
bonds (distance) C4'-P energy: -120.520
bonds (distance) P-C4' energy: -153.616
flat angles C4'-P-C4' energy: -141.922
flat angles P-C4'-P energy: -81.399
tors. eta vs tors. theta energy: -92.355
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: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1316.268966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.268966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.268966 (E_RNA)
where:
Base-Base interactions energy: -803.358
where: short stacking energy: -389.471
Base-Backbone interact. energy: -2.831
local terms energy: -510.079522
where:
bonds (distance) C4'-P energy: -120.477
bonds (distance) P-C4' energy: -139.051
flat angles C4'-P-C4' energy: -108.008
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -79.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -826.439332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.439332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.439332 (E_RNA)
where:
Base-Base interactions energy: -413.371
where: short stacking energy: -247.589
Base-Backbone interact. energy: -4.300
local terms energy: -408.768536
where:
bonds (distance) C4'-P energy: -93.063
bonds (distance) P-C4' energy: -133.324
flat angles C4'-P-C4' energy: -105.086
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -545.472227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.472227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.472227 (E_RNA)
where:
Base-Base interactions energy: -170.963
where: short stacking energy: -141.855
Base-Backbone interact. energy: -1.738
local terms energy: -372.770876
where:
bonds (distance) C4'-P energy: -125.718
bonds (distance) P-C4' energy: -127.306
flat angles C4'-P-C4' energy: -99.899
flat angles P-C4'-P energy: -62.755
tors. eta vs tors. theta energy: 42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2657.607088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.607088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.607088 (E_RNA)
where:
Base-Base interactions energy: -1822.593
where: short stacking energy: -758.141
Base-Backbone interact. energy: -0.735
local terms energy: -834.279442
where:
bonds (distance) C4'-P energy: -146.715
bonds (distance) P-C4' energy: -158.688
flat angles C4'-P-C4' energy: -176.778
flat angles P-C4'-P energy: -121.576
tors. eta vs tors. theta energy: -230.522
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: 8
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -2525.736636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.736636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.736636 (E_RNA)
where:
Base-Base interactions energy: -1717.887
where: short stacking energy: -716.698
Base-Backbone interact. energy: -2.843
local terms energy: -805.006595
where:
bonds (distance) C4'-P energy: -138.733
bonds (distance) P-C4' energy: -144.288
flat angles C4'-P-C4' energy: -169.006
flat angles P-C4'-P energy: -123.766
tors. eta vs tors. theta energy: -229.213
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: 188
Temperature: 1.000000
Total energy: -2319.795173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.795173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.795173 (E_RNA)
where:
Base-Base interactions energy: -1583.617
where: short stacking energy: -666.919
Base-Backbone interact. energy: -3.827
local terms energy: -732.350402
where:
bonds (distance) C4'-P energy: -133.591
bonds (distance) P-C4' energy: -150.992
flat angles C4'-P-C4' energy: -149.820
flat angles P-C4'-P energy: -98.877
tors. eta vs tors. theta energy: -199.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -2206.048470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.048470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.048470 (E_RNA)
where:
Base-Base interactions energy: -1491.581
where: short stacking energy: -641.473
Base-Backbone interact. energy: -1.843
local terms energy: -712.624667
where:
bonds (distance) C4'-P energy: -142.783
bonds (distance) P-C4' energy: -127.000
flat angles C4'-P-C4' energy: -162.510
flat angles P-C4'-P energy: -103.222
tors. eta vs tors. theta energy: -177.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -2138.507236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.507236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.507236 (E_RNA)
where:
Base-Base interactions energy: -1493.321
where: short stacking energy: -629.354
Base-Backbone interact. energy: 5.187
local terms energy: -650.373755
where:
bonds (distance) C4'-P energy: -108.029
bonds (distance) P-C4' energy: -144.165
flat angles C4'-P-C4' energy: -152.782
flat angles P-C4'-P energy: -70.654
tors. eta vs tors. theta energy: -174.744
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: 10
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1613.815433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.815433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.815433 (E_RNA)
where:
Base-Base interactions energy: -1011.553
where: short stacking energy: -455.694
Base-Backbone interact. energy: -2.321
local terms energy: -599.941606
where:
bonds (distance) C4'-P energy: -133.448
bonds (distance) P-C4' energy: -139.388
flat angles C4'-P-C4' energy: -135.034
flat angles P-C4'-P energy: -90.804
tors. eta vs tors. theta energy: -101.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1443.706893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.706893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.706893 (E_RNA)
where:
Base-Base interactions energy: -896.895
where: short stacking energy: -390.983
Base-Backbone interact. energy: -0.306
local terms energy: -546.505579
where:
bonds (distance) C4'-P energy: -126.229
bonds (distance) P-C4' energy: -138.540
flat angles C4'-P-C4' energy: -128.749
flat angles P-C4'-P energy: -68.818
tors. eta vs tors. theta energy: -84.168
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: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1344.801792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.801792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.801792 (E_RNA)
where:
Base-Base interactions energy: -814.841
where: short stacking energy: -383.586
Base-Backbone interact. energy: -0.537
local terms energy: -529.424310
where:
bonds (distance) C4'-P energy: -117.248
bonds (distance) P-C4' energy: -130.849
flat angles C4'-P-C4' energy: -133.839
flat angles P-C4'-P energy: -85.518
tors. eta vs tors. theta energy: -61.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -814.767415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.767415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.767415 (E_RNA)
where:
Base-Base interactions energy: -384.039
where: short stacking energy: -223.029
Base-Backbone interact. energy: 2.439
local terms energy: -433.167393
where:
bonds (distance) C4'-P energy: -132.482
bonds (distance) P-C4' energy: -121.341
flat angles C4'-P-C4' energy: -102.650
flat angles P-C4'-P energy: -75.091
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -542.343236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.343236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.343236 (E_RNA)
where:
Base-Base interactions energy: -168.869
where: short stacking energy: -144.485
Base-Backbone interact. energy: 1.971
local terms energy: -375.445479
where:
bonds (distance) C4'-P energy: -126.427
bonds (distance) P-C4' energy: -110.473
flat angles C4'-P-C4' energy: -97.065
flat angles P-C4'-P energy: -67.868
tors. eta vs tors. theta energy: 26.388
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: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2658.815903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.815903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.815903 (E_RNA)
where:
Base-Base interactions energy: -1819.095
where: short stacking energy: -762.568
Base-Backbone interact. energy: -4.541
local terms energy: -835.179534
where:
bonds (distance) C4'-P energy: -150.889
bonds (distance) P-C4' energy: -159.514
flat angles C4'-P-C4' energy: -183.764
flat angles P-C4'-P energy: -112.543
tors. eta vs tors. theta energy: -228.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -2536.287775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.287775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.287775 (E_RNA)
where:
Base-Base interactions energy: -1737.991
where: short stacking energy: -742.632
Base-Backbone interact. energy: -3.584
local terms energy: -794.712144
where:
bonds (distance) C4'-P energy: -132.522
bonds (distance) P-C4' energy: -147.203
flat angles C4'-P-C4' energy: -180.030
flat angles P-C4'-P energy: -99.944
tors. eta vs tors. theta energy: -235.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -2336.520207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.520207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.520207 (E_RNA)
where:
Base-Base interactions energy: -1583.937
where: short stacking energy: -640.471
Base-Backbone interact. energy: -7.573
local terms energy: -745.010999
where:
bonds (distance) C4'-P energy: -148.586
bonds (distance) P-C4' energy: -153.111
flat angles C4'-P-C4' energy: -150.778
flat angles P-C4'-P energy: -105.145
tors. eta vs tors. theta energy: -187.391
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -2183.998232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.998232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.998232 (E_RNA)
where:
Base-Base interactions energy: -1459.423
where: short stacking energy: -615.979
Base-Backbone interact. energy: -1.968
local terms energy: -722.607293
where:
bonds (distance) C4'-P energy: -140.899
bonds (distance) P-C4' energy: -143.643
flat angles C4'-P-C4' energy: -156.263
flat angles P-C4'-P energy: -105.529
tors. eta vs tors. theta energy: -176.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -2080.763029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.763029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.763029 (E_RNA)
where:
Base-Base interactions energy: -1406.153
where: short stacking energy: -666.806
Base-Backbone interact. energy: 0.017
local terms energy: -674.626949
where:
bonds (distance) C4'-P energy: -119.662
bonds (distance) P-C4' energy: -111.989
flat angles C4'-P-C4' energy: -155.671
flat angles P-C4'-P energy: -95.366
tors. eta vs tors. theta energy: -191.939
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: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1680.313061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.313061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.313061 (E_RNA)
where:
Base-Base interactions energy: -1060.905
where: short stacking energy: -490.731
Base-Backbone interact. energy: -2.810
local terms energy: -616.597853
where:
bonds (distance) C4'-P energy: -135.472
bonds (distance) P-C4' energy: -120.547
flat angles C4'-P-C4' energy: -162.341
flat angles P-C4'-P energy: -84.890
tors. eta vs tors. theta energy: -113.347
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: 10
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1472.815857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.815857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.815857 (E_RNA)
where:
Base-Base interactions energy: -911.795
where: short stacking energy: -427.342
Base-Backbone interact. energy: -0.644
local terms energy: -560.376713
where:
bonds (distance) C4'-P energy: -123.912
bonds (distance) P-C4' energy: -132.115
flat angles C4'-P-C4' energy: -129.698
flat angles P-C4'-P energy: -83.430
tors. eta vs tors. theta energy: -91.222
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: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1359.402088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.402088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.402088 (E_RNA)
where:
Base-Base interactions energy: -865.607
where: short stacking energy: -389.964
Base-Backbone interact. energy: -0.507
local terms energy: -493.287882
where:
bonds (distance) C4'-P energy: -110.853
bonds (distance) P-C4' energy: -100.572
flat angles C4'-P-C4' energy: -140.847
flat angles P-C4'-P energy: -82.741
tors. eta vs tors. theta energy: -58.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -864.316434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.316434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.316434 (E_RNA)
where:
Base-Base interactions energy: -457.979
where: short stacking energy: -252.757
Base-Backbone interact. energy: 0.045
local terms energy: -406.382677
where:
bonds (distance) C4'-P energy: -118.509
bonds (distance) P-C4' energy: -112.679
flat angles C4'-P-C4' energy: -103.331
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -546.595854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.595854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.595854 (E_RNA)
where:
Base-Base interactions energy: -182.480
where: short stacking energy: -137.593
Base-Backbone interact. energy: 4.109
local terms energy: -368.225399
where:
bonds (distance) C4'-P energy: -125.365
bonds (distance) P-C4' energy: -128.137
flat angles C4'-P-C4' energy: -95.757
flat angles P-C4'-P energy: -69.453
tors. eta vs tors. theta energy: 50.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2677.777485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.777485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.777485 (E_RNA)
where:
Base-Base interactions energy: -1826.793
where: short stacking energy: -753.174
Base-Backbone interact. energy: -4.308
local terms energy: -846.676900
where:
bonds (distance) C4'-P energy: -157.869
bonds (distance) P-C4' energy: -157.788
flat angles C4'-P-C4' energy: -180.044
flat angles P-C4'-P energy: -120.945
tors. eta vs tors. theta energy: -230.031
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: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -2481.179632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.179632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.179632 (E_RNA)
where:
Base-Base interactions energy: -1695.981
where: short stacking energy: -705.952
Base-Backbone interact. energy: -3.300
local terms energy: -781.898787
where:
bonds (distance) C4'-P energy: -140.073
bonds (distance) P-C4' energy: -133.426
flat angles C4'-P-C4' energy: -166.993
flat angles P-C4'-P energy: -115.489
tors. eta vs tors. theta energy: -225.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -2290.819872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.819872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.819872 (E_RNA)
where:
Base-Base interactions energy: -1567.793
where: short stacking energy: -644.551
Base-Backbone interact. energy: -3.706
local terms energy: -719.320645
where:
bonds (distance) C4'-P energy: -130.424
bonds (distance) P-C4' energy: -140.330
flat angles C4'-P-C4' energy: -160.711
flat angles P-C4'-P energy: -102.865
tors. eta vs tors. theta energy: -184.990
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: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -2191.096039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.096039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.096039 (E_RNA)
where:
Base-Base interactions energy: -1493.939
where: short stacking energy: -635.066
Base-Backbone interact. energy: -1.251
local terms energy: -695.906089
where:
bonds (distance) C4'-P energy: -141.777
bonds (distance) P-C4' energy: -133.296
flat angles C4'-P-C4' energy: -145.830
flat angles P-C4'-P energy: -97.987
tors. eta vs tors. theta energy: -177.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -2055.364937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.364937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.364937 (E_RNA)
where:
Base-Base interactions energy: -1390.751
where: short stacking energy: -585.671
Base-Backbone interact. energy: -5.655
local terms energy: -658.959238
where:
bonds (distance) C4'-P energy: -113.051
bonds (distance) P-C4' energy: -129.615
flat angles C4'-P-C4' energy: -162.383
flat angles P-C4'-P energy: -94.451
tors. eta vs tors. theta energy: -159.459
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: 5
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1671.116159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.116159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.116159 (E_RNA)
where:
Base-Base interactions energy: -1041.109
where: short stacking energy: -481.859
Base-Backbone interact. energy: 2.104
local terms energy: -632.110675
where:
bonds (distance) C4'-P energy: -126.790
bonds (distance) P-C4' energy: -142.442
flat angles C4'-P-C4' energy: -137.043
flat angles P-C4'-P energy: -101.820
tors. eta vs tors. theta energy: -124.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1465.753889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.753889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.753889 (E_RNA)
where:
Base-Base interactions energy: -898.461
where: short stacking energy: -431.537
Base-Backbone interact. energy: 0.675
local terms energy: -567.967902
where:
bonds (distance) C4'-P energy: -123.715
bonds (distance) P-C4' energy: -135.032
flat angles C4'-P-C4' energy: -137.050
flat angles P-C4'-P energy: -84.211
tors. eta vs tors. theta energy: -87.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1414.254844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.254844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.254844 (E_RNA)
where:
Base-Base interactions energy: -862.950
where: short stacking energy: -378.853
Base-Backbone interact. energy: -0.771
local terms energy: -550.534469
where:
bonds (distance) C4'-P energy: -130.830
bonds (distance) P-C4' energy: -132.909
flat angles C4'-P-C4' energy: -132.342
flat angles P-C4'-P energy: -84.642
tors. eta vs tors. theta energy: -69.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -907.517175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.517175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.517175 (E_RNA)
where:
Base-Base interactions energy: -460.065
where: short stacking energy: -241.133
Base-Backbone interact. energy: 0.493
local terms energy: -447.945961
where:
bonds (distance) C4'-P energy: -129.347
bonds (distance) P-C4' energy: -118.142
flat angles C4'-P-C4' energy: -122.940
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -556.028607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.028607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.028607 (E_RNA)
where:
Base-Base interactions energy: -206.908
where: short stacking energy: -134.162
Base-Backbone interact. energy: -0.039
local terms energy: -349.081105
where:
bonds (distance) C4'-P energy: -117.307
bonds (distance) P-C4' energy: -123.409
flat angles C4'-P-C4' energy: -104.063
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: 38.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2619.522858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.522858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.522858 (E_RNA)
where:
Base-Base interactions energy: -1807.795
where: short stacking energy: -729.688
Base-Backbone interact. energy: -3.850
local terms energy: -807.878690
where:
bonds (distance) C4'-P energy: -169.713
bonds (distance) P-C4' energy: -128.318
flat angles C4'-P-C4' energy: -169.621
flat angles P-C4'-P energy: -105.120
tors. eta vs tors. theta energy: -235.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -2482.788610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.788610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.788610 (E_RNA)
where:
Base-Base interactions energy: -1703.624
where: short stacking energy: -744.074
Base-Backbone interact. energy: -4.941
local terms energy: -774.224314
where:
bonds (distance) C4'-P energy: -135.804
bonds (distance) P-C4' energy: -151.610
flat angles C4'-P-C4' energy: -158.130
flat angles P-C4'-P energy: -99.907
tors. eta vs tors. theta energy: -228.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -2287.199806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.199806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.199806 (E_RNA)
where:
Base-Base interactions energy: -1565.669
where: short stacking energy: -641.962
Base-Backbone interact. energy: -4.654
local terms energy: -716.876673
where:
bonds (distance) C4'-P energy: -132.606
bonds (distance) P-C4' energy: -130.480
flat angles C4'-P-C4' energy: -151.434
flat angles P-C4'-P energy: -116.645
tors. eta vs tors. theta energy: -185.712
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: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -2157.080278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.080278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.080278 (E_RNA)
where:
Base-Base interactions energy: -1438.695
where: short stacking energy: -613.491
Base-Backbone interact. energy: -2.642
local terms energy: -715.743355
where:
bonds (distance) C4'-P energy: -140.233
bonds (distance) P-C4' energy: -130.523
flat angles C4'-P-C4' energy: -154.759
flat angles P-C4'-P energy: -115.824
tors. eta vs tors. theta energy: -174.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -2129.086882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.086882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.086882 (E_RNA)
where:
Base-Base interactions energy: -1419.904
where: short stacking energy: -597.509
Base-Backbone interact. energy: -0.551
local terms energy: -708.631864
where:
bonds (distance) C4'-P energy: -128.967
bonds (distance) P-C4' energy: -140.741
flat angles C4'-P-C4' energy: -154.111
flat angles P-C4'-P energy: -108.554
tors. eta vs tors. theta energy: -176.259
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: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1738.273896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.273896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.273896 (E_RNA)
where:
Base-Base interactions energy: -1097.005
where: short stacking energy: -504.477
Base-Backbone interact. energy: -2.651
local terms energy: -638.617735
where:
bonds (distance) C4'-P energy: -120.145
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -144.223
flat angles P-C4'-P energy: -95.666
tors. eta vs tors. theta energy: -134.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1432.195553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.195553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.195553 (E_RNA)
where:
Base-Base interactions energy: -870.657
where: short stacking energy: -413.590
Base-Backbone interact. energy: -1.412
local terms energy: -560.126493
where:
bonds (distance) C4'-P energy: -129.424
bonds (distance) P-C4' energy: -141.161
flat angles C4'-P-C4' energy: -123.067
flat angles P-C4'-P energy: -89.511
tors. eta vs tors. theta energy: -76.964
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: 7
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1405.130999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.130999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.130999 (E_RNA)
where:
Base-Base interactions energy: -891.434
where: short stacking energy: -385.916
Base-Backbone interact. energy: 2.766
local terms energy: -516.463694
where:
bonds (distance) C4'-P energy: -105.782
bonds (distance) P-C4' energy: -112.958
flat angles C4'-P-C4' energy: -134.140
flat angles P-C4'-P energy: -86.494
tors. eta vs tors. theta energy: -77.090
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: 191
Temperature: 1.300000
Total energy: -859.242537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.242537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.242537 (E_RNA)
where:
Base-Base interactions energy: -464.932
where: short stacking energy: -274.053
Base-Backbone interact. energy: -1.198
local terms energy: -393.112194
where:
bonds (distance) C4'-P energy: -112.915
bonds (distance) P-C4' energy: -113.397
flat angles C4'-P-C4' energy: -97.390
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -604.724890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.724890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.724890 (E_RNA)
where:
Base-Base interactions energy: -244.473
where: short stacking energy: -160.951
Base-Backbone interact. energy: -3.644
local terms energy: -356.607285
where:
bonds (distance) C4'-P energy: -109.193
bonds (distance) P-C4' energy: -130.404
flat angles C4'-P-C4' energy: -109.070
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: 31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2636.193232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.193232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.193232 (E_RNA)
where:
Base-Base interactions energy: -1826.337
where: short stacking energy: -748.435
Base-Backbone interact. energy: -5.529
local terms energy: -804.327395
where:
bonds (distance) C4'-P energy: -151.729
bonds (distance) P-C4' energy: -146.840
flat angles C4'-P-C4' energy: -166.696
flat angles P-C4'-P energy: -110.276
tors. eta vs tors. theta energy: -228.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -2526.942680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.942680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.942680 (E_RNA)
where:
Base-Base interactions energy: -1738.078
where: short stacking energy: -737.472
Base-Backbone interact. energy: -1.856
local terms energy: -787.008497
where:
bonds (distance) C4'-P energy: -143.901
bonds (distance) P-C4' energy: -149.320
flat angles C4'-P-C4' energy: -167.948
flat angles P-C4'-P energy: -100.393
tors. eta vs tors. theta energy: -225.446
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: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -2291.231671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.231671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.231671 (E_RNA)
where:
Base-Base interactions energy: -1540.761
where: short stacking energy: -635.521
Base-Backbone interact. energy: -2.914
local terms energy: -747.555847
where:
bonds (distance) C4'-P energy: -160.006
bonds (distance) P-C4' energy: -140.874
flat angles C4'-P-C4' energy: -157.521
flat angles P-C4'-P energy: -106.774
tors. eta vs tors. theta energy: -182.381
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: 9
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -2166.003663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2166.003663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2166.003663 (E_RNA)
where:
Base-Base interactions energy: -1451.411
where: short stacking energy: -596.182
Base-Backbone interact. energy: -2.218
local terms energy: -712.375272
where:
bonds (distance) C4'-P energy: -124.489
bonds (distance) P-C4' energy: -144.812
flat angles C4'-P-C4' energy: -159.706
flat angles P-C4'-P energy: -105.720
tors. eta vs tors. theta energy: -177.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -2123.896328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2123.896328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2123.896328 (E_RNA)
where:
Base-Base interactions energy: -1421.108
where: short stacking energy: -602.880
Base-Backbone interact. energy: -2.104
local terms energy: -700.684585
where:
bonds (distance) C4'-P energy: -130.938
bonds (distance) P-C4' energy: -131.872
flat angles C4'-P-C4' energy: -155.386
flat angles P-C4'-P energy: -103.020
tors. eta vs tors. theta energy: -179.469
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: 6, replica: 5
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1719.727037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.727037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.727037 (E_RNA)
where:
Base-Base interactions energy: -1119.788
where: short stacking energy: -503.197
Base-Backbone interact. energy: -4.626
local terms energy: -595.313267
where:
bonds (distance) C4'-P energy: -117.064
bonds (distance) P-C4' energy: -131.026
flat angles C4'-P-C4' energy: -140.938
flat angles P-C4'-P energy: -87.966
tors. eta vs tors. theta energy: -118.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1445.218516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.218516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.218516 (E_RNA)
where:
Base-Base interactions energy: -884.545
where: short stacking energy: -419.686
Base-Backbone interact. energy: 0.384
local terms energy: -561.057436
where:
bonds (distance) C4'-P energy: -132.514
bonds (distance) P-C4' energy: -118.082
flat angles C4'-P-C4' energy: -120.295
flat angles P-C4'-P energy: -93.814
tors. eta vs tors. theta energy: -96.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1415.062604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.062604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.062604 (E_RNA)
where:
Base-Base interactions energy: -874.743
where: short stacking energy: -391.888
Base-Backbone interact. energy: 1.901
local terms energy: -542.220193
where:
bonds (distance) C4'-P energy: -117.177
bonds (distance) P-C4' energy: -127.157
flat angles C4'-P-C4' energy: -111.171
flat angles P-C4'-P energy: -95.358
tors. eta vs tors. theta energy: -91.357
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: 192
Temperature: 1.300000
Total energy: -862.246822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.246822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.246822 (E_RNA)
where:
Base-Base interactions energy: -423.540
where: short stacking energy: -223.574
Base-Backbone interact. energy: -0.192
local terms energy: -438.515111
where:
bonds (distance) C4'-P energy: -120.623
bonds (distance) P-C4' energy: -143.565
flat angles C4'-P-C4' energy: -122.478
flat angles P-C4'-P energy: -52.188
tors. eta vs tors. theta energy: 0.340
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: 10, replica: 1
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -601.298977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.298977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.298977 (E_RNA)
where:
Base-Base interactions energy: -210.122
where: short stacking energy: -148.009
Base-Backbone interact. energy: -5.196
local terms energy: -385.980409
where:
bonds (distance) C4'-P energy: -109.800
bonds (distance) P-C4' energy: -136.700
flat angles C4'-P-C4' energy: -98.738
flat angles P-C4'-P energy: -81.214
tors. eta vs tors. theta energy: 40.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2648.014708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.014708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.014708 (E_RNA)
where:
Base-Base interactions energy: -1819.563
where: short stacking energy: -769.253
Base-Backbone interact. energy: -1.717
local terms energy: -826.734185
where:
bonds (distance) C4'-P energy: -154.573
bonds (distance) P-C4' energy: -155.677
flat angles C4'-P-C4' energy: -170.582
flat angles P-C4'-P energy: -119.151
tors. eta vs tors. theta energy: -226.750
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: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -2496.257777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.257777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.257777 (E_RNA)
where:
Base-Base interactions energy: -1711.662
where: short stacking energy: -723.063
Base-Backbone interact. energy: -4.110
local terms energy: -780.485968
where:
bonds (distance) C4'-P energy: -149.832
bonds (distance) P-C4' energy: -139.371
flat angles C4'-P-C4' energy: -160.713
flat angles P-C4'-P energy: -104.892
tors. eta vs tors. theta energy: -225.678
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: 3, replica: 3
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -2293.921031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.921031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.921031 (E_RNA)
where:
Base-Base interactions energy: -1566.933
where: short stacking energy: -623.908
Base-Backbone interact. energy: -0.727
local terms energy: -726.260996
where:
bonds (distance) C4'-P energy: -147.151
bonds (distance) P-C4' energy: -135.301
flat angles C4'-P-C4' energy: -160.387
flat angles P-C4'-P energy: -99.879
tors. eta vs tors. theta energy: -183.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -2194.033096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2194.033096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2194.033096 (E_RNA)
where:
Base-Base interactions energy: -1442.183
where: short stacking energy: -614.725
Base-Backbone interact. energy: -3.241
local terms energy: -748.609418
where:
bonds (distance) C4'-P energy: -158.243
bonds (distance) P-C4' energy: -138.981
flat angles C4'-P-C4' energy: -152.666
flat angles P-C4'-P energy: -113.940
tors. eta vs tors. theta energy: -184.780
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: 5, replica: 4
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -2127.469250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.469250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.469250 (E_RNA)
where:
Base-Base interactions energy: -1460.309
where: short stacking energy: -605.354
Base-Backbone interact. energy: -3.775
local terms energy: -663.385506
where:
bonds (distance) C4'-P energy: -131.236
bonds (distance) P-C4' energy: -128.584
flat angles C4'-P-C4' energy: -144.455
flat angles P-C4'-P energy: -87.352
tors. eta vs tors. theta energy: -171.759
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: 5
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1691.249135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.249135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.249135 (E_RNA)
where:
Base-Base interactions energy: -1053.807
where: short stacking energy: -476.565
Base-Backbone interact. energy: 0.026
local terms energy: -637.468176
where:
bonds (distance) C4'-P energy: -130.472
bonds (distance) P-C4' energy: -149.349
flat angles C4'-P-C4' energy: -139.826
flat angles P-C4'-P energy: -86.461
tors. eta vs tors. theta energy: -131.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1446.883225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.883225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.883225 (E_RNA)
where:
Base-Base interactions energy: -915.581
where: short stacking energy: -449.122
Base-Backbone interact. energy: -3.262
local terms energy: -528.041169
where:
bonds (distance) C4'-P energy: -110.125
bonds (distance) P-C4' energy: -134.576
flat angles C4'-P-C4' energy: -137.317
flat angles P-C4'-P energy: -67.701
tors. eta vs tors. theta energy: -78.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1424.327346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.327346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.327346 (E_RNA)
where:
Base-Base interactions energy: -887.105
where: short stacking energy: -391.245
Base-Backbone interact. energy: -0.239
local terms energy: -536.982754
where:
bonds (distance) C4'-P energy: -125.031
bonds (distance) P-C4' energy: -137.810
flat angles C4'-P-C4' energy: -132.553
flat angles P-C4'-P energy: -78.078
tors. eta vs tors. theta energy: -63.510
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: 9, replica: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -905.484422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.484422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.484422 (E_RNA)
where:
Base-Base interactions energy: -478.781
where: short stacking energy: -253.238
Base-Backbone interact. energy: -0.187
local terms energy: -426.515931
where:
bonds (distance) C4'-P energy: -103.695
bonds (distance) P-C4' energy: -126.772
flat angles C4'-P-C4' energy: -118.803
flat angles P-C4'-P energy: -61.922
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -555.042261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.042261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.042261 (E_RNA)
where:
Base-Base interactions energy: -209.409
where: short stacking energy: -171.406
Base-Backbone interact. energy: -2.788
local terms energy: -342.844776
where:
bonds (distance) C4'-P energy: -116.431
bonds (distance) P-C4' energy: -115.202
flat angles C4'-P-C4' energy: -91.914
flat angles P-C4'-P energy: -60.493
tors. eta vs tors. theta energy: 41.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2661.851128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.851128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.851128 (E_RNA)
where:
Base-Base interactions energy: -1842.842
where: short stacking energy: -755.200
Base-Backbone interact. energy: -3.503
local terms energy: -815.506231
where:
bonds (distance) C4'-P energy: -138.088
bonds (distance) P-C4' energy: -162.818
flat angles C4'-P-C4' energy: -161.216
flat angles P-C4'-P energy: -119.735
tors. eta vs tors. theta energy: -233.649
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: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -2466.289024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2466.289024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2466.289024 (E_RNA)
where:
Base-Base interactions energy: -1679.126
where: short stacking energy: -692.921
Base-Backbone interact. energy: -3.235
local terms energy: -783.928602
where:
bonds (distance) C4'-P energy: -152.916
bonds (distance) P-C4' energy: -133.666
flat angles C4'-P-C4' energy: -167.428
flat angles P-C4'-P energy: -109.442
tors. eta vs tors. theta energy: -220.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -2342.252419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.252419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.252419 (E_RNA)
where:
Base-Base interactions energy: -1577.915
where: short stacking energy: -703.741
Base-Backbone interact. energy: 2.474
local terms energy: -766.811945
where:
bonds (distance) C4'-P energy: -132.128
bonds (distance) P-C4' energy: -151.633
flat angles C4'-P-C4' energy: -151.051
flat angles P-C4'-P energy: -124.733
tors. eta vs tors. theta energy: -207.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -2278.703634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.703634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.703634 (E_RNA)
where:
Base-Base interactions energy: -1554.829
where: short stacking energy: -631.874
Base-Backbone interact. energy: -2.775
local terms energy: -721.098777
where:
bonds (distance) C4'-P energy: -152.022
bonds (distance) P-C4' energy: -127.958
flat angles C4'-P-C4' energy: -152.897
flat angles P-C4'-P energy: -101.992
tors. eta vs tors. theta energy: -186.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -2108.498469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.498469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.498469 (E_RNA)
where:
Base-Base interactions energy: -1394.259
where: short stacking energy: -625.275
Base-Backbone interact. energy: 2.965
local terms energy: -717.204012
where:
bonds (distance) C4'-P energy: -130.778
bonds (distance) P-C4' energy: -136.443
flat angles C4'-P-C4' energy: -153.422
flat angles P-C4'-P energy: -104.198
tors. eta vs tors. theta energy: -192.363
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: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1734.234693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.234693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.234693 (E_RNA)
where:
Base-Base interactions energy: -1132.877
where: short stacking energy: -527.826
Base-Backbone interact. energy: -1.696
local terms energy: -599.661815
where:
bonds (distance) C4'-P energy: -105.083
bonds (distance) P-C4' energy: -132.674
flat angles C4'-P-C4' energy: -145.398
flat angles P-C4'-P energy: -88.655
tors. eta vs tors. theta energy: -127.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1510.792523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.792523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.792523 (E_RNA)
where:
Base-Base interactions energy: -955.209
where: short stacking energy: -424.413
Base-Backbone interact. energy: 4.291
local terms energy: -559.873847
where:
bonds (distance) C4'-P energy: -132.158
bonds (distance) P-C4' energy: -123.094
flat angles C4'-P-C4' energy: -133.953
flat angles P-C4'-P energy: -82.091
tors. eta vs tors. theta energy: -88.578
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: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1365.528752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.528752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.528752 (E_RNA)
where:
Base-Base interactions energy: -819.317
where: short stacking energy: -376.405
Base-Backbone interact. energy: 6.031
local terms energy: -552.242517
where:
bonds (distance) C4'-P energy: -126.422
bonds (distance) P-C4' energy: -141.921
flat angles C4'-P-C4' energy: -139.850
flat angles P-C4'-P energy: -71.381
tors. eta vs tors. theta energy: -72.669
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: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -946.772143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.772143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.772143 (E_RNA)
where:
Base-Base interactions energy: -513.864
where: short stacking energy: -261.418
Base-Backbone interact. energy: 2.007
local terms energy: -434.915528
where:
bonds (distance) C4'-P energy: -105.823
bonds (distance) P-C4' energy: -126.448
flat angles C4'-P-C4' energy: -115.244
flat angles P-C4'-P energy: -78.452
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -623.990385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.990385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.990385 (E_RNA)
where:
Base-Base interactions energy: -261.089
where: short stacking energy: -176.137
Base-Backbone interact. energy: 6.450
local terms energy: -369.351245
where:
bonds (distance) C4'-P energy: -120.986
bonds (distance) P-C4' energy: -136.977
flat angles C4'-P-C4' energy: -88.386
flat angles P-C4'-P energy: -41.939
tors. eta vs tors. theta energy: 18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2677.125669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.125669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.125669 (E_RNA)
where:
Base-Base interactions energy: -1865.506
where: short stacking energy: -750.027
Base-Backbone interact. energy: -1.260
local terms energy: -810.359549
where:
bonds (distance) C4'-P energy: -145.246
bonds (distance) P-C4' energy: -154.503
flat angles C4'-P-C4' energy: -170.996
flat angles P-C4'-P energy: -107.711
tors. eta vs tors. theta energy: -231.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -2499.357521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.357521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.357521 (E_RNA)
where:
Base-Base interactions energy: -1718.617
where: short stacking energy: -740.625
Base-Backbone interact. energy: -1.624
local terms energy: -779.116561
where:
bonds (distance) C4'-P energy: -149.502
bonds (distance) P-C4' energy: -142.336
flat angles C4'-P-C4' energy: -152.086
flat angles P-C4'-P energy: -104.838
tors. eta vs tors. theta energy: -230.355
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: 3, replica: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -2271.703347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.703347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.703347 (E_RNA)
where:
Base-Base interactions energy: -1518.617
where: short stacking energy: -655.200
Base-Backbone interact. energy: -0.220
local terms energy: -752.866522
where:
bonds (distance) C4'-P energy: -146.465
bonds (distance) P-C4' energy: -156.196
flat angles C4'-P-C4' energy: -156.335
flat angles P-C4'-P energy: -104.241
tors. eta vs tors. theta energy: -189.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -2245.664385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2245.664385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2245.664385 (E_RNA)
where:
Base-Base interactions energy: -1567.067
where: short stacking energy: -620.291
Base-Backbone interact. energy: 1.163
local terms energy: -679.759848
where:
bonds (distance) C4'-P energy: -129.997
bonds (distance) P-C4' energy: -131.966
flat angles C4'-P-C4' energy: -138.388
flat angles P-C4'-P energy: -99.288
tors. eta vs tors. theta energy: -180.120
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: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -2025.570887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.570887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.570887 (E_RNA)
where:
Base-Base interactions energy: -1355.542
where: short stacking energy: -573.403
Base-Backbone interact. energy: -3.951
local terms energy: -666.078118
where:
bonds (distance) C4'-P energy: -128.343
bonds (distance) P-C4' energy: -138.160
flat angles C4'-P-C4' energy: -131.211
flat angles P-C4'-P energy: -96.152
tors. eta vs tors. theta energy: -172.213
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: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1704.665698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.665698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.665698 (E_RNA)
where:
Base-Base interactions energy: -1060.626
where: short stacking energy: -487.751
Base-Backbone interact. energy: -1.399
local terms energy: -642.641148
where:
bonds (distance) C4'-P energy: -145.545
bonds (distance) P-C4' energy: -141.966
flat angles C4'-P-C4' energy: -147.761
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -117.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1455.461350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.461350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.461350 (E_RNA)
where:
Base-Base interactions energy: -884.572
where: short stacking energy: -400.690
Base-Backbone interact. energy: -1.173
local terms energy: -569.716578
where:
bonds (distance) C4'-P energy: -129.615
bonds (distance) P-C4' energy: -129.542
flat angles C4'-P-C4' energy: -127.470
flat angles P-C4'-P energy: -85.303
tors. eta vs tors. theta energy: -97.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1395.426727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.426727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.426727 (E_RNA)
where:
Base-Base interactions energy: -861.735
where: short stacking energy: -393.671
Base-Backbone interact. energy: -1.976
local terms energy: -531.715423
where:
bonds (distance) C4'-P energy: -131.407
bonds (distance) P-C4' energy: -126.211
flat angles C4'-P-C4' energy: -129.191
flat angles P-C4'-P energy: -60.590
tors. eta vs tors. theta energy: -84.317
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: 195
Temperature: 1.300000
Total energy: -880.788528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.788528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.788528 (E_RNA)
where:
Base-Base interactions energy: -453.891
where: short stacking energy: -248.979
Base-Backbone interact. energy: 1.107
local terms energy: -428.004892
where:
bonds (distance) C4'-P energy: -114.690
bonds (distance) P-C4' energy: -127.478
flat angles C4'-P-C4' energy: -102.799
flat angles P-C4'-P energy: -81.722
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -638.191133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.191133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.191133 (E_RNA)
where:
Base-Base interactions energy: -253.642
where: short stacking energy: -184.587
Base-Backbone interact. energy: -1.201
local terms energy: -383.348031
where:
bonds (distance) C4'-P energy: -117.843
bonds (distance) P-C4' energy: -123.846
flat angles C4'-P-C4' energy: -108.960
flat angles P-C4'-P energy: -37.419
tors. eta vs tors. theta energy: 4.719
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: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2666.262438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.262438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.262438 (E_RNA)
where:
Base-Base interactions energy: -1823.117
where: short stacking energy: -748.648
Base-Backbone interact. energy: -6.833
local terms energy: -836.312399
where:
bonds (distance) C4'-P energy: -153.536
bonds (distance) P-C4' energy: -161.917
flat angles C4'-P-C4' energy: -163.823
flat angles P-C4'-P energy: -123.208
tors. eta vs tors. theta energy: -233.828
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: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -2464.495113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.495113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.495113 (E_RNA)
where:
Base-Base interactions energy: -1651.851
where: short stacking energy: -671.157
Base-Backbone interact. energy: -5.937
local terms energy: -806.706966
where:
bonds (distance) C4'-P energy: -138.627
bonds (distance) P-C4' energy: -172.225
flat angles C4'-P-C4' energy: -160.770
flat angles P-C4'-P energy: -112.714
tors. eta vs tors. theta energy: -222.371
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: 196
Temperature: 1.000000
Total energy: -2270.646890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.646890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.646890 (E_RNA)
where:
Base-Base interactions energy: -1517.201
where: short stacking energy: -638.051
Base-Backbone interact. energy: -4.133
local terms energy: -749.312484
where:
bonds (distance) C4'-P energy: -148.861
bonds (distance) P-C4' energy: -139.240
flat angles C4'-P-C4' energy: -169.226
flat angles P-C4'-P energy: -108.781
tors. eta vs tors. theta energy: -183.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -2226.755160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.755160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.755160 (E_RNA)
where:
Base-Base interactions energy: -1512.931
where: short stacking energy: -618.771
Base-Backbone interact. energy: -3.399
local terms energy: -710.425939
where:
bonds (distance) C4'-P energy: -145.194
bonds (distance) P-C4' energy: -131.845
flat angles C4'-P-C4' energy: -162.505
flat angles P-C4'-P energy: -96.617
tors. eta vs tors. theta energy: -174.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1965.739795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.739795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.739795 (E_RNA)
where:
Base-Base interactions energy: -1301.806
where: short stacking energy: -574.602
Base-Backbone interact. energy: -1.783
local terms energy: -662.150074
where:
bonds (distance) C4'-P energy: -126.789
bonds (distance) P-C4' energy: -129.715
flat angles C4'-P-C4' energy: -152.668
flat angles P-C4'-P energy: -91.199
tors. eta vs tors. theta energy: -161.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1716.818354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.818354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.818354 (E_RNA)
where:
Base-Base interactions energy: -1103.579
where: short stacking energy: -505.738
Base-Backbone interact. energy: -4.939
local terms energy: -608.300191
where:
bonds (distance) C4'-P energy: -116.169
bonds (distance) P-C4' energy: -127.563
flat angles C4'-P-C4' energy: -147.534
flat angles P-C4'-P energy: -88.638
tors. eta vs tors. theta energy: -128.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1367.002318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.002318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.002318 (E_RNA)
where:
Base-Base interactions energy: -842.838
where: short stacking energy: -402.602
Base-Backbone interact. energy: -2.790
local terms energy: -521.374190
where:
bonds (distance) C4'-P energy: -125.142
bonds (distance) P-C4' energy: -119.395
flat angles C4'-P-C4' energy: -132.934
flat angles P-C4'-P energy: -60.799
tors. eta vs tors. theta energy: -83.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1460.882924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.882924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.882924 (E_RNA)
where:
Base-Base interactions energy: -916.663
where: short stacking energy: -433.791
Base-Backbone interact. energy: 3.273
local terms energy: -547.493203
where:
bonds (distance) C4'-P energy: -141.961
bonds (distance) P-C4' energy: -122.222
flat angles C4'-P-C4' energy: -115.673
flat angles P-C4'-P energy: -80.438
tors. eta vs tors. theta energy: -87.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -854.667257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.667257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.667257 (E_RNA)
where:
Base-Base interactions energy: -436.242
where: short stacking energy: -243.307
Base-Backbone interact. energy: 0.798
local terms energy: -419.223419
where:
bonds (distance) C4'-P energy: -134.481
bonds (distance) P-C4' energy: -118.882
flat angles C4'-P-C4' energy: -96.939
flat angles P-C4'-P energy: -60.639
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -614.736254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.736254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.736254 (E_RNA)
where:
Base-Base interactions energy: -260.324
where: short stacking energy: -147.430
Base-Backbone interact. energy: 1.583
local terms energy: -355.995022
where:
bonds (distance) C4'-P energy: -118.079
bonds (distance) P-C4' energy: -118.606
flat angles C4'-P-C4' energy: -94.954
flat angles P-C4'-P energy: -47.132
tors. eta vs tors. theta energy: 22.775
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: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2666.848112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.848112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.848112 (E_RNA)
where:
Base-Base interactions energy: -1818.072
where: short stacking energy: -750.445
Base-Backbone interact. energy: -4.078
local terms energy: -844.698640
where:
bonds (distance) C4'-P energy: -145.314
bonds (distance) P-C4' energy: -164.096
flat angles C4'-P-C4' energy: -175.274
flat angles P-C4'-P energy: -115.596
tors. eta vs tors. theta energy: -244.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -2482.955366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.955366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.955366 (E_RNA)
where:
Base-Base interactions energy: -1705.539
where: short stacking energy: -699.363
Base-Backbone interact. energy: -1.446
local terms energy: -775.970212
where:
bonds (distance) C4'-P energy: -141.770
bonds (distance) P-C4' energy: -141.647
flat angles C4'-P-C4' energy: -169.812
flat angles P-C4'-P energy: -100.398
tors. eta vs tors. theta energy: -222.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -2335.015283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.015283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.015283 (E_RNA)
where:
Base-Base interactions energy: -1576.251
where: short stacking energy: -670.600
Base-Backbone interact. energy: -2.965
local terms energy: -755.799212
where:
bonds (distance) C4'-P energy: -154.747
bonds (distance) P-C4' energy: -139.170
flat angles C4'-P-C4' energy: -166.439
flat angles P-C4'-P energy: -94.443
tors. eta vs tors. theta energy: -200.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -2314.675199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2314.675199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2314.675199 (E_RNA)
where:
Base-Base interactions energy: -1567.496
where: short stacking energy: -658.448
Base-Backbone interact. energy: -2.256
local terms energy: -744.922803
where:
bonds (distance) C4'-P energy: -147.599
bonds (distance) P-C4' energy: -151.298
flat angles C4'-P-C4' energy: -167.419
flat angles P-C4'-P energy: -91.399
tors. eta vs tors. theta energy: -187.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -2004.645117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.645117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.645117 (E_RNA)
where:
Base-Base interactions energy: -1310.391
where: short stacking energy: -556.670
Base-Backbone interact. energy: 2.125
local terms energy: -696.378928
where:
bonds (distance) C4'-P energy: -133.209
bonds (distance) P-C4' energy: -147.790
flat angles C4'-P-C4' energy: -152.018
flat angles P-C4'-P energy: -96.703
tors. eta vs tors. theta energy: -166.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1716.495234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.495234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.495234 (E_RNA)
where:
Base-Base interactions energy: -1080.446
where: short stacking energy: -508.241
Base-Backbone interact. energy: -2.244
local terms energy: -633.804597
where:
bonds (distance) C4'-P energy: -131.379
bonds (distance) P-C4' energy: -129.223
flat angles C4'-P-C4' energy: -145.716
flat angles P-C4'-P energy: -91.256
tors. eta vs tors. theta energy: -136.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1370.328287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.328287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.328287 (E_RNA)
where:
Base-Base interactions energy: -814.653
where: short stacking energy: -403.104
Base-Backbone interact. energy: -1.796
local terms energy: -553.878822
where:
bonds (distance) C4'-P energy: -113.767
bonds (distance) P-C4' energy: -132.846
flat angles C4'-P-C4' energy: -132.604
flat angles P-C4'-P energy: -100.516
tors. eta vs tors. theta energy: -74.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1385.966052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.966052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.966052 (E_RNA)
where:
Base-Base interactions energy: -868.962
where: short stacking energy: -419.749
Base-Backbone interact. energy: -4.046
local terms energy: -512.958131
where:
bonds (distance) C4'-P energy: -118.590
bonds (distance) P-C4' energy: -121.839
flat angles C4'-P-C4' energy: -119.345
flat angles P-C4'-P energy: -77.809
tors. eta vs tors. theta energy: -75.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -800.737828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.737828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.737828 (E_RNA)
where:
Base-Base interactions energy: -396.383
where: short stacking energy: -217.041
Base-Backbone interact. energy: 6.456
local terms energy: -410.811381
where:
bonds (distance) C4'-P energy: -118.690
bonds (distance) P-C4' energy: -151.639
flat angles C4'-P-C4' energy: -103.388
flat angles P-C4'-P energy: -57.168
tors. eta vs tors. theta energy: 20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -647.250949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.250949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.250949 (E_RNA)
where:
Base-Base interactions energy: -282.432
where: short stacking energy: -180.909
Base-Backbone interact. energy: -1.325
local terms energy: -363.494006
where:
bonds (distance) C4'-P energy: -125.705
bonds (distance) P-C4' energy: -119.589
flat angles C4'-P-C4' energy: -86.252
flat angles P-C4'-P energy: -59.262
tors. eta vs tors. theta energy: 27.314
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: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2677.068651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.068651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.068651 (E_RNA)
where:
Base-Base interactions energy: -1858.929
where: short stacking energy: -772.124
Base-Backbone interact. energy: -3.375
local terms energy: -814.764990
where:
bonds (distance) C4'-P energy: -157.469
bonds (distance) P-C4' energy: -135.615
flat angles C4'-P-C4' energy: -167.942
flat angles P-C4'-P energy: -116.722
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: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -2497.653386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.653386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.653386 (E_RNA)
where:
Base-Base interactions energy: -1698.054
where: short stacking energy: -691.804
Base-Backbone interact. energy: 4.072
local terms energy: -803.670720
where:
bonds (distance) C4'-P energy: -138.069
bonds (distance) P-C4' energy: -151.725
flat angles C4'-P-C4' energy: -171.633
flat angles P-C4'-P energy: -127.341
tors. eta vs tors. theta energy: -214.904
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: 198
Temperature: 1.000000
Total energy: -2372.103244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.103244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.103244 (E_RNA)
where:
Base-Base interactions energy: -1616.877
where: short stacking energy: -663.087
Base-Backbone interact. energy: -3.059
local terms energy: -752.166626
where:
bonds (distance) C4'-P energy: -146.556
bonds (distance) P-C4' energy: -143.590
flat angles C4'-P-C4' energy: -149.910
flat angles P-C4'-P energy: -102.885
tors. eta vs tors. theta energy: -209.226
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: 3
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -2241.871640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.871640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.871640 (E_RNA)
where:
Base-Base interactions energy: -1526.688
where: short stacking energy: -657.481
Base-Backbone interact. energy: -0.875
local terms energy: -714.308789
where:
bonds (distance) C4'-P energy: -127.652
bonds (distance) P-C4' energy: -143.388
flat angles C4'-P-C4' energy: -150.158
flat angles P-C4'-P energy: -102.133
tors. eta vs tors. theta energy: -190.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -2009.975955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.975955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.975955 (E_RNA)
where:
Base-Base interactions energy: -1301.951
where: short stacking energy: -578.848
Base-Backbone interact. energy: -1.734
local terms energy: -706.290875
where:
bonds (distance) C4'-P energy: -138.055
bonds (distance) P-C4' energy: -147.324
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -105.260
tors. eta vs tors. theta energy: -167.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1758.201289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.201289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.201289 (E_RNA)
where:
Base-Base interactions energy: -1112.115
where: short stacking energy: -498.114
Base-Backbone interact. energy: -2.248
local terms energy: -643.837836
where:
bonds (distance) C4'-P energy: -145.403
bonds (distance) P-C4' energy: -121.352
flat angles C4'-P-C4' energy: -145.121
flat angles P-C4'-P energy: -70.639
tors. eta vs tors. theta energy: -161.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1477.773130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.773130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.773130 (E_RNA)
where:
Base-Base interactions energy: -927.190
where: short stacking energy: -422.724
Base-Backbone interact. energy: -0.439
local terms energy: -550.143994
where:
bonds (distance) C4'-P energy: -134.159
bonds (distance) P-C4' energy: -125.935
flat angles C4'-P-C4' energy: -130.438
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -76.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1369.456092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.456092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.456092 (E_RNA)
where:
Base-Base interactions energy: -848.975
where: short stacking energy: -390.941
Base-Backbone interact. energy: 1.031
local terms energy: -521.512316
where:
bonds (distance) C4'-P energy: -141.382
bonds (distance) P-C4' energy: -129.120
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -65.362
tors. eta vs tors. theta energy: -61.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -830.272187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.272187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.272187 (E_RNA)
where:
Base-Base interactions energy: -442.011
where: short stacking energy: -259.986
Base-Backbone interact. energy: -4.129
local terms energy: -384.132716
where:
bonds (distance) C4'-P energy: -110.434
bonds (distance) P-C4' energy: -128.463
flat angles C4'-P-C4' energy: -112.699
flat angles P-C4'-P energy: -25.692
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -632.105663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.105663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.105663 (E_RNA)
where:
Base-Base interactions energy: -299.899
where: short stacking energy: -190.431
Base-Backbone interact. energy: 0.998
local terms energy: -333.204834
where:
bonds (distance) C4'-P energy: -100.269
bonds (distance) P-C4' energy: -96.492
flat angles C4'-P-C4' energy: -101.575
flat angles P-C4'-P energy: -65.459
tors. eta vs tors. theta energy: 30.590
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: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2690.693413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.693413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.693413 (E_RNA)
where:
Base-Base interactions energy: -1851.900
where: short stacking energy: -758.099
Base-Backbone interact. energy: -5.923
local terms energy: -832.870859
where:
bonds (distance) C4'-P energy: -150.649
bonds (distance) P-C4' energy: -161.007
flat angles C4'-P-C4' energy: -171.163
flat angles P-C4'-P energy: -109.638
tors. eta vs tors. theta energy: -240.414
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: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2518.496968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2518.496968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2518.496968 (E_RNA)
where:
Base-Base interactions energy: -1708.988
where: short stacking energy: -725.943
Base-Backbone interact. energy: -5.391
local terms energy: -804.117540
where:
bonds (distance) C4'-P energy: -138.306
bonds (distance) P-C4' energy: -159.054
flat angles C4'-P-C4' energy: -170.372
flat angles P-C4'-P energy: -119.473
tors. eta vs tors. theta energy: -216.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -2329.998237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.998237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.998237 (E_RNA)
where:
Base-Base interactions energy: -1592.807
where: short stacking energy: -669.074
Base-Backbone interact. energy: -4.537
local terms energy: -732.653939
where:
bonds (distance) C4'-P energy: -132.643
bonds (distance) P-C4' energy: -145.083
flat angles C4'-P-C4' energy: -152.696
flat angles P-C4'-P energy: -100.737
tors. eta vs tors. theta energy: -201.495
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: 3
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -2225.519872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.519872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.519872 (E_RNA)
where:
Base-Base interactions energy: -1522.253
where: short stacking energy: -633.732
Base-Backbone interact. energy: -1.058
local terms energy: -702.208995
where:
bonds (distance) C4'-P energy: -153.404
bonds (distance) P-C4' energy: -133.605
flat angles C4'-P-C4' energy: -148.855
flat angles P-C4'-P energy: -93.297
tors. eta vs tors. theta energy: -173.048
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: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -2034.701761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.701761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.701761 (E_RNA)
where:
Base-Base interactions energy: -1341.287
where: short stacking energy: -604.970
Base-Backbone interact. energy: 5.224
local terms energy: -698.639218
where:
bonds (distance) C4'-P energy: -132.452
bonds (distance) P-C4' energy: -141.238
flat angles C4'-P-C4' energy: -166.181
flat angles P-C4'-P energy: -91.877
tors. eta vs tors. theta energy: -166.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1641.350003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.350003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.350003 (E_RNA)
where:
Base-Base interactions energy: -1057.005
where: short stacking energy: -442.333
Base-Backbone interact. energy: -0.868
local terms energy: -583.477400
where:
bonds (distance) C4'-P energy: -126.361
bonds (distance) P-C4' energy: -120.075
flat angles C4'-P-C4' energy: -162.148
flat angles P-C4'-P energy: -72.485
tors. eta vs tors. theta energy: -102.408
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: 199
Temperature: 1.200000
Total energy: -1486.695178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.695178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.695178 (E_RNA)
where:
Base-Base interactions energy: -927.060
where: short stacking energy: -459.625
Base-Backbone interact. energy: -1.595
local terms energy: -558.040031
where:
bonds (distance) C4'-P energy: -109.990
bonds (distance) P-C4' energy: -136.134
flat angles C4'-P-C4' energy: -130.847
flat angles P-C4'-P energy: -87.236
tors. eta vs tors. theta energy: -93.833
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: 7
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1288.958921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.958921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.958921 (E_RNA)
where:
Base-Base interactions energy: -785.906
where: short stacking energy: -343.977
Base-Backbone interact. energy: -1.845
local terms energy: -501.208129
where:
bonds (distance) C4'-P energy: -111.274
bonds (distance) P-C4' energy: -142.917
flat angles C4'-P-C4' energy: -128.141
flat angles P-C4'-P energy: -65.989
tors. eta vs tors. theta energy: -52.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -774.302511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.302511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.302511 (E_RNA)
where:
Base-Base interactions energy: -370.761
where: short stacking energy: -209.828
Base-Backbone interact. energy: 4.675
local terms energy: -408.217037
where:
bonds (distance) C4'-P energy: -103.793
bonds (distance) P-C4' energy: -118.596
flat angles C4'-P-C4' energy: -117.112
flat angles P-C4'-P energy: -74.939
tors. eta vs tors. theta energy: 6.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -667.030480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.030480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.030480 (E_RNA)
where:
Base-Base interactions energy: -256.095
where: short stacking energy: -160.418
Base-Backbone interact. energy: 1.854
local terms energy: -412.789022
where:
bonds (distance) C4'-P energy: -104.182
bonds (distance) P-C4' energy: -143.095
flat angles C4'-P-C4' energy: -113.120
flat angles P-C4'-P energy: -56.713
tors. eta vs tors. theta energy: 4.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2673.852193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.852193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.852193 (E_RNA)
where:
Base-Base interactions energy: -1830.243
where: short stacking energy: -747.344
Base-Backbone interact. energy: -5.915
local terms energy: -837.693884
where:
bonds (distance) C4'-P energy: -150.816
bonds (distance) P-C4' energy: -154.719
flat angles C4'-P-C4' energy: -178.178
flat angles P-C4'-P energy: -114.187
tors. eta vs tors. theta energy: -239.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -2508.021066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.021066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.021066 (E_RNA)
where:
Base-Base interactions energy: -1730.690
where: short stacking energy: -729.952
Base-Backbone interact. energy: -5.724
local terms energy: -771.607310
where:
bonds (distance) C4'-P energy: -145.394
bonds (distance) P-C4' energy: -137.378
flat angles C4'-P-C4' energy: -164.580
flat angles P-C4'-P energy: -102.752
tors. eta vs tors. theta energy: -221.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -2312.428801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.428801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.428801 (E_RNA)
where:
Base-Base interactions energy: -1546.313
where: short stacking energy: -666.168
Base-Backbone interact. energy: -4.531
local terms energy: -761.584954
where:
bonds (distance) C4'-P energy: -146.284
bonds (distance) P-C4' energy: -154.739
flat angles C4'-P-C4' energy: -152.734
flat angles P-C4'-P energy: -106.034
tors. eta vs tors. theta energy: -201.794
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: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -2244.400578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.400578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.400578 (E_RNA)
where:
Base-Base interactions energy: -1563.877
where: short stacking energy: -633.976
Base-Backbone interact. energy: -4.306
local terms energy: -676.217526
where:
bonds (distance) C4'-P energy: -131.284
bonds (distance) P-C4' energy: -128.642
flat angles C4'-P-C4' energy: -147.435
flat angles P-C4'-P energy: -96.235
tors. eta vs tors. theta energy: -172.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -2011.169940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.169940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.169940 (E_RNA)
where:
Base-Base interactions energy: -1332.346
where: short stacking energy: -601.166
Base-Backbone interact. energy: -0.340
local terms energy: -678.484082
where:
bonds (distance) C4'-P energy: -129.466
bonds (distance) P-C4' energy: -133.681
flat angles C4'-P-C4' energy: -140.170
flat angles P-C4'-P energy: -96.300
tors. eta vs tors. theta energy: -178.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1722.101367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.101367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.101367 (E_RNA)
where:
Base-Base interactions energy: -1122.478
where: short stacking energy: -467.659
Base-Backbone interact. energy: -0.118
local terms energy: -599.505400
where:
bonds (distance) C4'-P energy: -118.449
bonds (distance) P-C4' energy: -130.507
flat angles C4'-P-C4' energy: -152.480
flat angles P-C4'-P energy: -83.833
tors. eta vs tors. theta energy: -114.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1469.821281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.821281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.821281 (E_RNA)
where:
Base-Base interactions energy: -943.380
where: short stacking energy: -458.087
Base-Backbone interact. energy: -2.101
local terms energy: -524.340323
where:
bonds (distance) C4'-P energy: -106.189
bonds (distance) P-C4' energy: -110.492
flat angles C4'-P-C4' energy: -138.062
flat angles P-C4'-P energy: -80.583
tors. eta vs tors. theta energy: -89.014
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: 7
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1299.630651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.630651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.630651 (E_RNA)
where:
Base-Base interactions energy: -793.849
where: short stacking energy: -365.643
Base-Backbone interact. energy: -3.240
local terms energy: -502.541909
where:
bonds (distance) C4'-P energy: -113.746
bonds (distance) P-C4' energy: -121.294
flat angles C4'-P-C4' energy: -131.709
flat angles P-C4'-P energy: -73.599
tors. eta vs tors. theta energy: -62.194
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: 9, replica: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -781.691307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.691307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.691307 (E_RNA)
where:
Base-Base interactions energy: -378.353
where: short stacking energy: -211.136
Base-Backbone interact. energy: 5.872
local terms energy: -409.209509
where:
bonds (distance) C4'-P energy: -126.553
bonds (distance) P-C4' energy: -130.408
flat angles C4'-P-C4' energy: -98.973
flat angles P-C4'-P energy: -60.782
tors. eta vs tors. theta energy: 7.507
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: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -639.926020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.926020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.926020 (E_RNA)
where:
Base-Base interactions energy: -265.784
where: short stacking energy: -178.792
Base-Backbone interact. energy: -1.907
local terms energy: -372.234769
where:
bonds (distance) C4'-P energy: -112.395
bonds (distance) P-C4' energy: -131.891
flat angles C4'-P-C4' energy: -97.661
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: 17.811
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: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2649.257133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.257133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.257133 (E_RNA)
where:
Base-Base interactions energy: -1847.827
where: short stacking energy: -759.014
Base-Backbone interact. energy: -4.502
local terms energy: -796.928277
where:
bonds (distance) C4'-P energy: -139.145
bonds (distance) P-C4' energy: -144.352
flat angles C4'-P-C4' energy: -161.558
flat angles P-C4'-P energy: -113.191
tors. eta vs tors. theta energy: -238.683
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: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -2482.389496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2482.389496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2482.389496 (E_RNA)
where:
Base-Base interactions energy: -1690.053
where: short stacking energy: -705.285
Base-Backbone interact. energy: -2.547
local terms energy: -789.789439
where:
bonds (distance) C4'-P energy: -141.355
bonds (distance) P-C4' energy: -153.081
flat angles C4'-P-C4' energy: -150.981
flat angles P-C4'-P energy: -119.364
tors. eta vs tors. theta energy: -225.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -2335.622749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.622749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.622749 (E_RNA)
where:
Base-Base interactions energy: -1571.958
where: short stacking energy: -670.105
Base-Backbone interact. energy: -6.705
local terms energy: -756.960381
where:
bonds (distance) C4'-P energy: -143.032
bonds (distance) P-C4' energy: -135.220
flat angles C4'-P-C4' energy: -177.919
flat angles P-C4'-P energy: -111.534
tors. eta vs tors. theta energy: -189.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -2241.076749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.076749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.076749 (E_RNA)
where:
Base-Base interactions energy: -1513.744
where: short stacking energy: -629.476
Base-Backbone interact. energy: -2.530
local terms energy: -724.803279
where:
bonds (distance) C4'-P energy: -141.453
bonds (distance) P-C4' energy: -145.188
flat angles C4'-P-C4' energy: -161.007
flat angles P-C4'-P energy: -86.217
tors. eta vs tors. theta energy: -190.938
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: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1942.157610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.157610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.157610 (E_RNA)
where:
Base-Base interactions energy: -1252.847
where: short stacking energy: -527.257
Base-Backbone interact. energy: -2.167
local terms energy: -687.143748
where:
bonds (distance) C4'-P energy: -143.812
bonds (distance) P-C4' energy: -138.214
flat angles C4'-P-C4' energy: -145.950
flat angles P-C4'-P energy: -102.959
tors. eta vs tors. theta energy: -156.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1705.476479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.476479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.476479 (E_RNA)
where:
Base-Base interactions energy: -1098.756
where: short stacking energy: -451.919
Base-Backbone interact. energy: 2.604
local terms energy: -609.324714
where:
bonds (distance) C4'-P energy: -132.768
bonds (distance) P-C4' energy: -138.845
flat angles C4'-P-C4' energy: -141.877
flat angles P-C4'-P energy: -80.398
tors. eta vs tors. theta energy: -115.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1500.808399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.808399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.808399 (E_RNA)
where:
Base-Base interactions energy: -915.146
where: short stacking energy: -454.230
Base-Backbone interact. energy: 2.159
local terms energy: -587.821054
where:
bonds (distance) C4'-P energy: -131.952
bonds (distance) P-C4' energy: -125.951
flat angles C4'-P-C4' energy: -130.402
flat angles P-C4'-P energy: -96.963
tors. eta vs tors. theta energy: -102.553
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: 8, replica: 7
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1396.572481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.572481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.572481 (E_RNA)
where:
Base-Base interactions energy: -867.474
where: short stacking energy: -419.971
Base-Backbone interact. energy: 2.726
local terms energy: -531.824599
where:
bonds (distance) C4'-P energy: -120.592
bonds (distance) P-C4' energy: -110.973
flat angles C4'-P-C4' energy: -135.830
flat angles P-C4'-P energy: -76.506
tors. eta vs tors. theta energy: -87.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -829.772754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.772754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.772754 (E_RNA)
where:
Base-Base interactions energy: -402.589
where: short stacking energy: -239.217
Base-Backbone interact. energy: 4.979
local terms energy: -432.162270
where:
bonds (distance) C4'-P energy: -127.655
bonds (distance) P-C4' energy: -117.361
flat angles C4'-P-C4' energy: -114.243
flat angles P-C4'-P energy: -69.096
tors. eta vs tors. theta energy: -3.808
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: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -630.929005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.929005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.929005 (E_RNA)
where:
Base-Base interactions energy: -219.089
where: short stacking energy: -162.004
Base-Backbone interact. energy: 10.199
local terms energy: -422.039072
where:
bonds (distance) C4'-P energy: -132.617
bonds (distance) P-C4' energy: -137.340
flat angles C4'-P-C4' energy: -117.949
flat angles P-C4'-P energy: -54.131
tors. eta vs tors. theta energy: 19.999
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: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2666.372751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.372751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.372751 (E_RNA)
where:
Base-Base interactions energy: -1825.360
where: short stacking energy: -735.604
Base-Backbone interact. energy: -4.999
local terms energy: -836.013439
where:
bonds (distance) C4'-P energy: -155.251
bonds (distance) P-C4' energy: -160.593
flat angles C4'-P-C4' energy: -172.683
flat angles P-C4'-P energy: -113.027
tors. eta vs tors. theta energy: -234.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -2497.502064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.502064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.502064 (E_RNA)
where:
Base-Base interactions energy: -1722.871
where: short stacking energy: -706.413
Base-Backbone interact. energy: 0.449
local terms energy: -775.079462
where:
bonds (distance) C4'-P energy: -145.295
bonds (distance) P-C4' energy: -139.587
flat angles C4'-P-C4' energy: -158.666
flat angles P-C4'-P energy: -115.658
tors. eta vs tors. theta energy: -215.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -2310.795195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.795195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.795195 (E_RNA)
where:
Base-Base interactions energy: -1584.459
where: short stacking energy: -648.365
Base-Backbone interact. energy: -1.059
local terms energy: -725.277080
where:
bonds (distance) C4'-P energy: -136.015
bonds (distance) P-C4' energy: -139.356
flat angles C4'-P-C4' energy: -164.902
flat angles P-C4'-P energy: -95.435
tors. eta vs tors. theta energy: -189.569
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: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -2281.082836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.082836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.082836 (E_RNA)
where:
Base-Base interactions energy: -1570.694
where: short stacking energy: -638.455
Base-Backbone interact. energy: -3.970
local terms energy: -706.419169
where:
bonds (distance) C4'-P energy: -141.282
bonds (distance) P-C4' energy: -158.563
flat angles C4'-P-C4' energy: -141.938
flat angles P-C4'-P energy: -77.582
tors. eta vs tors. theta energy: -187.055
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: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1912.149790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.149790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.149790 (E_RNA)
where:
Base-Base interactions energy: -1268.733
where: short stacking energy: -543.449
Base-Backbone interact. energy: -7.063
local terms energy: -636.353796
where:
bonds (distance) C4'-P energy: -125.119
bonds (distance) P-C4' energy: -111.406
flat angles C4'-P-C4' energy: -152.992
flat angles P-C4'-P energy: -97.348
tors. eta vs tors. theta energy: -149.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1746.389496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.389496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.389496 (E_RNA)
where:
Base-Base interactions energy: -1158.261
where: short stacking energy: -490.960
Base-Backbone interact. energy: -4.251
local terms energy: -583.877706
where:
bonds (distance) C4'-P energy: -133.298
bonds (distance) P-C4' energy: -120.925
flat angles C4'-P-C4' energy: -126.065
flat angles P-C4'-P energy: -84.758
tors. eta vs tors. theta energy: -118.832
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: 202
Temperature: 1.200000
Total energy: -1491.927355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.927355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.927355 (E_RNA)
where:
Base-Base interactions energy: -914.957
where: short stacking energy: -439.542
Base-Backbone interact. energy: -0.052
local terms energy: -576.918547
where:
bonds (distance) C4'-P energy: -119.648
bonds (distance) P-C4' energy: -132.139
flat angles C4'-P-C4' energy: -130.955
flat angles P-C4'-P energy: -92.422
tors. eta vs tors. theta energy: -101.755
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: 7
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1331.280092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.280092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.280092 (E_RNA)
where:
Base-Base interactions energy: -798.468
where: short stacking energy: -368.536
Base-Backbone interact. energy: -1.997
local terms energy: -530.815541
where:
bonds (distance) C4'-P energy: -128.667
bonds (distance) P-C4' energy: -126.353
flat angles C4'-P-C4' energy: -135.882
flat angles P-C4'-P energy: -73.390
tors. eta vs tors. theta energy: -66.523
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: 202
Temperature: 1.300000
Total energy: -769.595027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.595027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.595027 (E_RNA)
where:
Base-Base interactions energy: -373.327
where: short stacking energy: -227.193
Base-Backbone interact. energy: -1.251
local terms energy: -395.017398
where:
bonds (distance) C4'-P energy: -113.294
bonds (distance) P-C4' energy: -137.141
flat angles C4'-P-C4' energy: -98.719
flat angles P-C4'-P energy: -64.229
tors. eta vs tors. theta energy: 18.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -690.519755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.519755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.519755 (E_RNA)
where:
Base-Base interactions energy: -284.260
where: short stacking energy: -205.504
Base-Backbone interact. energy: 2.148
local terms energy: -408.408057
where:
bonds (distance) C4'-P energy: -110.757
bonds (distance) P-C4' energy: -109.226
flat angles C4'-P-C4' energy: -103.307
flat angles P-C4'-P energy: -69.741
tors. eta vs tors. theta energy: -15.377
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: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2675.375441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.375441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.375441 (E_RNA)
where:
Base-Base interactions energy: -1864.883
where: short stacking energy: -756.091
Base-Backbone interact. energy: -5.711
local terms energy: -804.782021
where:
bonds (distance) C4'-P energy: -132.301
bonds (distance) P-C4' energy: -155.484
flat angles C4'-P-C4' energy: -171.334
flat angles P-C4'-P energy: -117.964
tors. eta vs tors. theta energy: -227.699
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: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -2516.678670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.678670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.678670 (E_RNA)
where:
Base-Base interactions energy: -1719.769
where: short stacking energy: -733.987
Base-Backbone interact. energy: -4.303
local terms energy: -792.606857
where:
bonds (distance) C4'-P energy: -151.311
bonds (distance) P-C4' energy: -138.471
flat angles C4'-P-C4' energy: -164.050
flat angles P-C4'-P energy: -114.612
tors. eta vs tors. theta energy: -224.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -2326.371374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.371374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.371374 (E_RNA)
where:
Base-Base interactions energy: -1593.911
where: short stacking energy: -658.122
Base-Backbone interact. energy: 0.053
local terms energy: -732.513633
where:
bonds (distance) C4'-P energy: -128.599
bonds (distance) P-C4' energy: -136.893
flat angles C4'-P-C4' energy: -167.674
flat angles P-C4'-P energy: -101.154
tors. eta vs tors. theta energy: -198.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -2262.728075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2262.728075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2262.728075 (E_RNA)
where:
Base-Base interactions energy: -1535.231
where: short stacking energy: -641.987
Base-Backbone interact. energy: 0.905
local terms energy: -728.401603
where:
bonds (distance) C4'-P energy: -143.328
bonds (distance) P-C4' energy: -139.260
flat angles C4'-P-C4' energy: -158.764
flat angles P-C4'-P energy: -100.962
tors. eta vs tors. theta energy: -186.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1949.951635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.951635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.951635 (E_RNA)
where:
Base-Base interactions energy: -1235.306
where: short stacking energy: -540.588
Base-Backbone interact. energy: -1.149
local terms energy: -713.497356
where:
bonds (distance) C4'-P energy: -156.399
bonds (distance) P-C4' energy: -157.818
flat angles C4'-P-C4' energy: -150.355
flat angles P-C4'-P energy: -100.098
tors. eta vs tors. theta energy: -148.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1772.289822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.289822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.289822 (E_RNA)
where:
Base-Base interactions energy: -1166.907
where: short stacking energy: -519.657
Base-Backbone interact. energy: -0.261
local terms energy: -605.121251
where:
bonds (distance) C4'-P energy: -131.568
bonds (distance) P-C4' energy: -113.168
flat angles C4'-P-C4' energy: -141.122
flat angles P-C4'-P energy: -90.710
tors. eta vs tors. theta energy: -128.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1455.275069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.275069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.275069 (E_RNA)
where:
Base-Base interactions energy: -931.818
where: short stacking energy: -412.221
Base-Backbone interact. energy: -3.117
local terms energy: -520.340440
where:
bonds (distance) C4'-P energy: -120.841
bonds (distance) P-C4' energy: -120.521
flat angles C4'-P-C4' energy: -135.517
flat angles P-C4'-P energy: -72.823
tors. eta vs tors. theta energy: -70.638
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: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1353.246179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.246179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.246179 (E_RNA)
where:
Base-Base interactions energy: -829.633
where: short stacking energy: -393.592
Base-Backbone interact. energy: 7.459
local terms energy: -531.072267
where:
bonds (distance) C4'-P energy: -111.074
bonds (distance) P-C4' energy: -137.739
flat angles C4'-P-C4' energy: -134.131
flat angles P-C4'-P energy: -59.380
tors. eta vs tors. theta energy: -88.747
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: 9, replica: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -787.427293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.427293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.427293 (E_RNA)
where:
Base-Base interactions energy: -344.461
where: short stacking energy: -193.786
Base-Backbone interact. energy: -0.683
local terms energy: -442.282851
where:
bonds (distance) C4'-P energy: -128.370
bonds (distance) P-C4' energy: -124.302
flat angles C4'-P-C4' energy: -133.647
flat angles P-C4'-P energy: -55.556
tors. eta vs tors. theta energy: -0.407
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: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -649.617545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.617545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.617545 (E_RNA)
where:
Base-Base interactions energy: -252.763
where: short stacking energy: -161.886
Base-Backbone interact. energy: 2.125
local terms energy: -398.980074
where:
bonds (distance) C4'-P energy: -129.423
bonds (distance) P-C4' energy: -121.282
flat angles C4'-P-C4' energy: -100.774
flat angles P-C4'-P energy: -65.878
tors. eta vs tors. theta energy: 18.377
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: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -2659.840996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.840996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.840996 (E_RNA)
where:
Base-Base interactions energy: -1870.389
where: short stacking energy: -763.540
Base-Backbone interact. energy: -1.544
local terms energy: -787.908407
where:
bonds (distance) C4'-P energy: -148.502
bonds (distance) P-C4' energy: -145.961
flat angles C4'-P-C4' energy: -171.867
flat angles P-C4'-P energy: -94.224
tors. eta vs tors. theta energy: -227.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2541.392686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2541.392686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2541.392686 (E_RNA)
where:
Base-Base interactions energy: -1751.094
where: short stacking energy: -720.573
Base-Backbone interact. energy: 0.510
local terms energy: -790.808545
where:
bonds (distance) C4'-P energy: -149.868
bonds (distance) P-C4' energy: -150.611
flat angles C4'-P-C4' energy: -162.604
flat angles P-C4'-P energy: -107.353
tors. eta vs tors. theta energy: -220.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -2328.099072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.099072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.099072 (E_RNA)
where:
Base-Base interactions energy: -1586.088
where: short stacking energy: -650.707
Base-Backbone interact. energy: -0.704
local terms energy: -741.307422
where:
bonds (distance) C4'-P energy: -137.205
bonds (distance) P-C4' energy: -151.256
flat angles C4'-P-C4' energy: -159.475
flat angles P-C4'-P energy: -114.266
tors. eta vs tors. theta energy: -179.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -2225.532956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.532956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.532956 (E_RNA)
where:
Base-Base interactions energy: -1542.274
where: short stacking energy: -631.025
Base-Backbone interact. energy: 6.313
local terms energy: -689.572155
where:
bonds (distance) C4'-P energy: -127.861
bonds (distance) P-C4' energy: -141.236
flat angles C4'-P-C4' energy: -139.184
flat angles P-C4'-P energy: -101.121
tors. eta vs tors. theta energy: -180.170
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: 5, replica: 4
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1959.649290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.649290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.649290 (E_RNA)
where:
Base-Base interactions energy: -1301.213
where: short stacking energy: -538.512
Base-Backbone interact. energy: -2.014
local terms energy: -656.422686
where:
bonds (distance) C4'-P energy: -136.293
bonds (distance) P-C4' energy: -125.180
flat angles C4'-P-C4' energy: -150.251
flat angles P-C4'-P energy: -93.722
tors. eta vs tors. theta energy: -150.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1735.991013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.991013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.991013 (E_RNA)
where:
Base-Base interactions energy: -1110.844
where: short stacking energy: -441.110
Base-Backbone interact. energy: -2.387
local terms energy: -622.760222
where:
bonds (distance) C4'-P energy: -144.396
bonds (distance) P-C4' energy: -147.296
flat angles C4'-P-C4' energy: -132.314
flat angles P-C4'-P energy: -99.370
tors. eta vs tors. theta energy: -99.384
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: 7, replica: 10
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1577.417605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.417605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.417605 (E_RNA)
where:
Base-Base interactions energy: -1002.821
where: short stacking energy: -418.067
Base-Backbone interact. energy: -4.194
local terms energy: -570.402682
where:
bonds (distance) C4'-P energy: -134.402
bonds (distance) P-C4' energy: -128.869
flat angles C4'-P-C4' energy: -127.296
flat angles P-C4'-P energy: -82.526
tors. eta vs tors. theta energy: -97.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1333.557737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.557737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.557737 (E_RNA)
where:
Base-Base interactions energy: -797.348
where: short stacking energy: -362.281
Base-Backbone interact. energy: 2.074
local terms energy: -538.283915
where:
bonds (distance) C4'-P energy: -132.931
bonds (distance) P-C4' energy: -139.052
flat angles C4'-P-C4' energy: -121.519
flat angles P-C4'-P energy: -84.423
tors. eta vs tors. theta energy: -60.359
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: 204
Temperature: 1.300000
Total energy: -817.457634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.457634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.457634 (E_RNA)
where:
Base-Base interactions energy: -369.934
where: short stacking energy: -229.632
Base-Backbone interact. energy: 1.307
local terms energy: -448.830057
where:
bonds (distance) C4'-P energy: -130.321
bonds (distance) P-C4' energy: -134.393
flat angles C4'-P-C4' energy: -112.851
flat angles P-C4'-P energy: -74.757
tors. eta vs tors. theta energy: 3.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -602.159346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.159346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.159346 (E_RNA)
where:
Base-Base interactions energy: -240.829
where: short stacking energy: -153.352
Base-Backbone interact. energy: 1.273
local terms energy: -362.602561
where:
bonds (distance) C4'-P energy: -114.970
bonds (distance) P-C4' energy: -112.543
flat angles C4'-P-C4' energy: -118.027
flat angles P-C4'-P energy: -49.691
tors. eta vs tors. theta energy: 32.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2659.206932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.206932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.206932 (E_RNA)
where:
Base-Base interactions energy: -1827.551
where: short stacking energy: -733.436
Base-Backbone interact. energy: -3.949
local terms energy: -827.707633
where:
bonds (distance) C4'-P energy: -162.502
bonds (distance) P-C4' energy: -151.000
flat angles C4'-P-C4' energy: -179.301
flat angles P-C4'-P energy: -107.683
tors. eta vs tors. theta energy: -227.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -2546.070539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.070539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.070539 (E_RNA)
where:
Base-Base interactions energy: -1759.295
where: short stacking energy: -715.940
Base-Backbone interact. energy: -1.518
local terms energy: -785.257159
where:
bonds (distance) C4'-P energy: -140.277
bonds (distance) P-C4' energy: -156.873
flat angles C4'-P-C4' energy: -156.377
flat angles P-C4'-P energy: -118.602
tors. eta vs tors. theta energy: -213.129
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: 205
Temperature: 1.000000
Total energy: -2338.268660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.268660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.268660 (E_RNA)
where:
Base-Base interactions energy: -1571.029
where: short stacking energy: -691.122
Base-Backbone interact. energy: -0.606
local terms energy: -766.634351
where:
bonds (distance) C4'-P energy: -152.429
bonds (distance) P-C4' energy: -143.499
flat angles C4'-P-C4' energy: -163.078
flat angles P-C4'-P energy: -100.381
tors. eta vs tors. theta energy: -207.247
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: 205
Temperature: 1.050000
Total energy: -2261.278915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.278915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.278915 (E_RNA)
where:
Base-Base interactions energy: -1537.504
where: short stacking energy: -630.582
Base-Backbone interact. energy: 0.430
local terms energy: -724.204987
where:
bonds (distance) C4'-P energy: -144.073
bonds (distance) P-C4' energy: -134.369
flat angles C4'-P-C4' energy: -161.422
flat angles P-C4'-P energy: -90.350
tors. eta vs tors. theta energy: -193.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1983.549915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.549915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.549915 (E_RNA)
where:
Base-Base interactions energy: -1302.973
where: short stacking energy: -560.091
Base-Backbone interact. energy: -5.125
local terms energy: -675.451987
where:
bonds (distance) C4'-P energy: -119.984
bonds (distance) P-C4' energy: -131.293
flat angles C4'-P-C4' energy: -154.566
flat angles P-C4'-P energy: -104.906
tors. eta vs tors. theta energy: -164.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1752.001231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.001231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.001231 (E_RNA)
where:
Base-Base interactions energy: -1134.424
where: short stacking energy: -487.887
Base-Backbone interact. energy: 3.137
local terms energy: -620.714171
where:
bonds (distance) C4'-P energy: -135.740
bonds (distance) P-C4' energy: -129.853
flat angles C4'-P-C4' energy: -141.058
flat angles P-C4'-P energy: -82.391
tors. eta vs tors. theta energy: -131.672
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: 205
Temperature: 1.200000
Total energy: -1526.291298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.291298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.291298 (E_RNA)
where:
Base-Base interactions energy: -927.819
where: short stacking energy: -440.564
Base-Backbone interact. energy: -3.934
local terms energy: -594.538209
where:
bonds (distance) C4'-P energy: -132.171
bonds (distance) P-C4' energy: -139.587
flat angles C4'-P-C4' energy: -154.784
flat angles P-C4'-P energy: -82.135
tors. eta vs tors. theta energy: -85.861
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: 7
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1314.201784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.201784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.201784 (E_RNA)
where:
Base-Base interactions energy: -794.291
where: short stacking energy: -380.976
Base-Backbone interact. energy: 0.117
local terms energy: -520.027524
where:
bonds (distance) C4'-P energy: -114.035
bonds (distance) P-C4' energy: -133.215
flat angles C4'-P-C4' energy: -119.517
flat angles P-C4'-P energy: -81.292
tors. eta vs tors. theta energy: -71.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -801.946264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.946264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.946264 (E_RNA)
where:
Base-Base interactions energy: -393.975
where: short stacking energy: -224.873
Base-Backbone interact. energy: -1.557
local terms energy: -406.414154
where:
bonds (distance) C4'-P energy: -123.746
bonds (distance) P-C4' energy: -118.194
flat angles C4'-P-C4' energy: -121.656
flat angles P-C4'-P energy: -47.464
tors. eta vs tors. theta energy: 4.645
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: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -604.063651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.063651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.063651 (E_RNA)
where:
Base-Base interactions energy: -224.740
where: short stacking energy: -182.458
Base-Backbone interact. energy: -2.418
local terms energy: -376.906281
where:
bonds (distance) C4'-P energy: -116.359
bonds (distance) P-C4' energy: -120.891
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -48.655
tors. eta vs tors. theta energy: 9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2639.936241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.936241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.936241 (E_RNA)
where:
Base-Base interactions energy: -1828.336
where: short stacking energy: -771.255
Base-Backbone interact. energy: -0.713
local terms energy: -810.887498
where:
bonds (distance) C4'-P energy: -149.785
bonds (distance) P-C4' energy: -143.078
flat angles C4'-P-C4' energy: -165.853
flat angles P-C4'-P energy: -107.517
tors. eta vs tors. theta energy: -244.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2603.166811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.166811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.166811 (E_RNA)
where:
Base-Base interactions energy: -1788.824
where: short stacking energy: -739.158
Base-Backbone interact. energy: -2.355
local terms energy: -811.988127
where:
bonds (distance) C4'-P energy: -148.520
bonds (distance) P-C4' energy: -161.980
flat angles C4'-P-C4' energy: -166.681
flat angles P-C4'-P energy: -103.850
tors. eta vs tors. theta energy: -230.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -2330.166658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.166658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.166658 (E_RNA)
where:
Base-Base interactions energy: -1564.605
where: short stacking energy: -664.884
Base-Backbone interact. energy: -2.757
local terms energy: -762.805279
where:
bonds (distance) C4'-P energy: -147.558
bonds (distance) P-C4' energy: -153.341
flat angles C4'-P-C4' energy: -162.906
flat angles P-C4'-P energy: -103.125
tors. eta vs tors. theta energy: -195.875
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: 3
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -2259.893994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.893994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.893994 (E_RNA)
where:
Base-Base interactions energy: -1538.494
where: short stacking energy: -599.721
Base-Backbone interact. energy: -4.628
local terms energy: -716.772068
where:
bonds (distance) C4'-P energy: -135.752
bonds (distance) P-C4' energy: -147.340
flat angles C4'-P-C4' energy: -158.276
flat angles P-C4'-P energy: -106.604
tors. eta vs tors. theta energy: -168.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -2047.909270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.909270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.909270 (E_RNA)
where:
Base-Base interactions energy: -1378.300
where: short stacking energy: -593.809
Base-Backbone interact. energy: 1.593
local terms energy: -671.202004
where:
bonds (distance) C4'-P energy: -112.274
bonds (distance) P-C4' energy: -140.830
flat angles C4'-P-C4' energy: -155.874
flat angles P-C4'-P energy: -99.875
tors. eta vs tors. theta energy: -162.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1752.130561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.130561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.130561 (E_RNA)
where:
Base-Base interactions energy: -1150.628
where: short stacking energy: -504.886
Base-Backbone interact. energy: -1.340
local terms energy: -600.163514
where:
bonds (distance) C4'-P energy: -119.523
bonds (distance) P-C4' energy: -127.182
flat angles C4'-P-C4' energy: -142.320
flat angles P-C4'-P energy: -85.863
tors. eta vs tors. theta energy: -125.275
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: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1551.123375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.123375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.123375 (E_RNA)
where:
Base-Base interactions energy: -1016.340
where: short stacking energy: -439.395
Base-Backbone interact. energy: -1.894
local terms energy: -532.889672
where:
bonds (distance) C4'-P energy: -115.539
bonds (distance) P-C4' energy: -137.160
flat angles C4'-P-C4' energy: -135.397
flat angles P-C4'-P energy: -60.951
tors. eta vs tors. theta energy: -83.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1343.995474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.995474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.995474 (E_RNA)
where:
Base-Base interactions energy: -820.244
where: short stacking energy: -359.498
Base-Backbone interact. energy: 3.722
local terms energy: -527.473568
where:
bonds (distance) C4'-P energy: -128.960
bonds (distance) P-C4' energy: -145.082
flat angles C4'-P-C4' energy: -106.866
flat angles P-C4'-P energy: -73.370
tors. eta vs tors. theta energy: -73.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -790.011007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.011007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.011007 (E_RNA)
where:
Base-Base interactions energy: -364.401
where: short stacking energy: -217.858
Base-Backbone interact. energy: 1.046
local terms energy: -426.655703
where:
bonds (distance) C4'-P energy: -129.141
bonds (distance) P-C4' energy: -122.267
flat angles C4'-P-C4' energy: -102.903
flat angles P-C4'-P energy: -71.993
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -598.891328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.891328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.891328 (E_RNA)
where:
Base-Base interactions energy: -216.614
where: short stacking energy: -175.255
Base-Backbone interact. energy: 1.762
local terms energy: -384.039049
where:
bonds (distance) C4'-P energy: -104.943
bonds (distance) P-C4' energy: -122.066
flat angles C4'-P-C4' energy: -110.041
flat angles P-C4'-P energy: -62.397
tors. eta vs tors. theta energy: 15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2622.587491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.587491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.587491 (E_RNA)
where:
Base-Base interactions energy: -1821.257
where: short stacking energy: -766.128
Base-Backbone interact. energy: 2.463
local terms energy: -803.793429
where:
bonds (distance) C4'-P energy: -139.761
bonds (distance) P-C4' energy: -156.856
flat angles C4'-P-C4' energy: -166.767
flat angles P-C4'-P energy: -100.958
tors. eta vs tors. theta energy: -239.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -2572.745009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.745009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.745009 (E_RNA)
where:
Base-Base interactions energy: -1764.715
where: short stacking energy: -710.990
Base-Backbone interact. energy: -2.938
local terms energy: -805.091449
where:
bonds (distance) C4'-P energy: -148.511
bonds (distance) P-C4' energy: -145.244
flat angles C4'-P-C4' energy: -165.087
flat angles P-C4'-P energy: -116.700
tors. eta vs tors. theta energy: -229.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -2278.790450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.790450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.790450 (E_RNA)
where:
Base-Base interactions energy: -1524.190
where: short stacking energy: -640.536
Base-Backbone interact. energy: -4.779
local terms energy: -749.821926
where:
bonds (distance) C4'-P energy: -138.433
bonds (distance) P-C4' energy: -158.322
flat angles C4'-P-C4' energy: -162.361
flat angles P-C4'-P energy: -107.365
tors. eta vs tors. theta energy: -183.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -2249.170065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.170065 (E_RNA)
where:
Base-Base interactions energy: -1547.612
where: short stacking energy: -620.671
Base-Backbone interact. energy: -2.470
local terms energy: -699.088091
where:
bonds (distance) C4'-P energy: -143.897
bonds (distance) P-C4' energy: -114.802
flat angles C4'-P-C4' energy: -167.894
flat angles P-C4'-P energy: -93.152
tors. eta vs tors. theta energy: -179.343
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: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1950.333821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.333821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.333821 (E_RNA)
where:
Base-Base interactions energy: -1273.206
where: short stacking energy: -549.420
Base-Backbone interact. energy: -1.237
local terms energy: -675.890254
where:
bonds (distance) C4'-P energy: -106.661
bonds (distance) P-C4' energy: -144.739
flat angles C4'-P-C4' energy: -151.530
flat angles P-C4'-P energy: -113.461
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1760.303954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.303954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.303954 (E_RNA)
where:
Base-Base interactions energy: -1146.729
where: short stacking energy: -481.815
Base-Backbone interact. energy: 2.453
local terms energy: -616.027985
where:
bonds (distance) C4'-P energy: -147.857
bonds (distance) P-C4' energy: -129.906
flat angles C4'-P-C4' energy: -152.499
flat angles P-C4'-P energy: -67.976
tors. eta vs tors. theta energy: -117.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1553.435885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.435885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.435885 (E_RNA)
where:
Base-Base interactions energy: -971.386
where: short stacking energy: -443.906
Base-Backbone interact. energy: -3.654
local terms energy: -578.395914
where:
bonds (distance) C4'-P energy: -120.727
bonds (distance) P-C4' energy: -127.175
flat angles C4'-P-C4' energy: -134.711
flat angles P-C4'-P energy: -89.524
tors. eta vs tors. theta energy: -106.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1366.366182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.366182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.366182 (E_RNA)
where:
Base-Base interactions energy: -852.818
where: short stacking energy: -407.489
Base-Backbone interact. energy: 0.772
local terms energy: -514.321024
where:
bonds (distance) C4'-P energy: -102.780
bonds (distance) P-C4' energy: -129.601
flat angles C4'-P-C4' energy: -121.219
flat angles P-C4'-P energy: -72.645
tors. eta vs tors. theta energy: -88.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -768.985656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.985656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.985656 (E_RNA)
where:
Base-Base interactions energy: -349.918
where: short stacking energy: -235.999
Base-Backbone interact. energy: -3.246
local terms energy: -415.821503
where:
bonds (distance) C4'-P energy: -116.115
bonds (distance) P-C4' energy: -136.859
flat angles C4'-P-C4' energy: -108.617
flat angles P-C4'-P energy: -59.039
tors. eta vs tors. theta energy: 4.808
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: 1
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -600.950957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.950957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.950957 (E_RNA)
where:
Base-Base interactions energy: -225.008
where: short stacking energy: -189.130
Base-Backbone interact. energy: 4.589
local terms energy: -380.531796
where:
bonds (distance) C4'-P energy: -107.194
bonds (distance) P-C4' energy: -139.004
flat angles C4'-P-C4' energy: -101.439
flat angles P-C4'-P energy: -52.879
tors. eta vs tors. theta energy: 19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2587.307678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.307678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.307678 (E_RNA)
where:
Base-Base interactions energy: -1785.553
where: short stacking energy: -730.619
Base-Backbone interact. energy: 0.732
local terms energy: -802.487203
where:
bonds (distance) C4'-P energy: -136.467
bonds (distance) P-C4' energy: -150.777
flat angles C4'-P-C4' energy: -168.479
flat angles P-C4'-P energy: -119.479
tors. eta vs tors. theta energy: -227.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -2572.124822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2572.124822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2572.124822 (E_RNA)
where:
Base-Base interactions energy: -1775.254
where: short stacking energy: -718.815
Base-Backbone interact. energy: -4.488
local terms energy: -792.382855
where:
bonds (distance) C4'-P energy: -145.423
bonds (distance) P-C4' energy: -144.392
flat angles C4'-P-C4' energy: -174.727
flat angles P-C4'-P energy: -102.304
tors. eta vs tors. theta energy: -225.536
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: 208
Temperature: 1.000000
Total energy: -2298.465634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.465634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.465634 (E_RNA)
where:
Base-Base interactions energy: -1574.935
where: short stacking energy: -638.632
Base-Backbone interact. energy: 1.819
local terms energy: -725.350406
where:
bonds (distance) C4'-P energy: -132.128
bonds (distance) P-C4' energy: -143.489
flat angles C4'-P-C4' energy: -165.406
flat angles P-C4'-P energy: -92.060
tors. eta vs tors. theta energy: -192.267
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: 3
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -2238.139194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.139194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.139194 (E_RNA)
where:
Base-Base interactions energy: -1520.888
where: short stacking energy: -625.992
Base-Backbone interact. energy: -1.615
local terms energy: -715.636633
where:
bonds (distance) C4'-P energy: -135.810
bonds (distance) P-C4' energy: -136.824
flat angles C4'-P-C4' energy: -148.435
flat angles P-C4'-P energy: -105.486
tors. eta vs tors. theta energy: -189.081
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: 5, replica: 4
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1982.776302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.776302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.776302 (E_RNA)
where:
Base-Base interactions energy: -1330.406
where: short stacking energy: -576.979
Base-Backbone interact. energy: -1.695
local terms energy: -650.675224
where:
bonds (distance) C4'-P energy: -121.690
bonds (distance) P-C4' energy: -135.690
flat angles C4'-P-C4' energy: -138.844
flat angles P-C4'-P energy: -98.481
tors. eta vs tors. theta energy: -155.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1727.437477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.437477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.437477 (E_RNA)
where:
Base-Base interactions energy: -1132.682
where: short stacking energy: -463.749
Base-Backbone interact. energy: -2.033
local terms energy: -592.723131
where:
bonds (distance) C4'-P energy: -115.679
bonds (distance) P-C4' energy: -140.528
flat angles C4'-P-C4' energy: -140.574
flat angles P-C4'-P energy: -77.996
tors. eta vs tors. theta energy: -117.946
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: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1642.253161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.253161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.253161 (E_RNA)
where:
Base-Base interactions energy: -1046.806
where: short stacking energy: -467.366
Base-Backbone interact. energy: -0.484
local terms energy: -594.962844
where:
bonds (distance) C4'-P energy: -120.196
bonds (distance) P-C4' energy: -129.503
flat angles C4'-P-C4' energy: -134.612
flat angles P-C4'-P energy: -102.383
tors. eta vs tors. theta energy: -108.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1335.864691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.864691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.864691 (E_RNA)
where:
Base-Base interactions energy: -817.017
where: short stacking energy: -399.336
Base-Backbone interact. energy: -1.511
local terms energy: -517.336565
where:
bonds (distance) C4'-P energy: -115.747
bonds (distance) P-C4' energy: -140.442
flat angles C4'-P-C4' energy: -113.345
flat angles P-C4'-P energy: -66.667
tors. eta vs tors. theta energy: -81.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -805.491449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.491449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.491449 (E_RNA)
where:
Base-Base interactions energy: -365.800
where: short stacking energy: -211.024
Base-Backbone interact. energy: -1.751
local terms energy: -437.940180
where:
bonds (distance) C4'-P energy: -120.329
bonds (distance) P-C4' energy: -136.557
flat angles C4'-P-C4' energy: -123.987
flat angles P-C4'-P energy: -58.973
tors. eta vs tors. theta energy: 1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -549.251579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.251579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.251579 (E_RNA)
where:
Base-Base interactions energy: -169.502
where: short stacking energy: -145.647
Base-Backbone interact. energy: 11.021
local terms energy: -390.770851
where:
bonds (distance) C4'-P energy: -119.214
bonds (distance) P-C4' energy: -124.918
flat angles C4'-P-C4' energy: -103.363
flat angles P-C4'-P energy: -64.064
tors. eta vs tors. theta energy: 20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2623.277081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.277081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.277081 (E_RNA)
where:
Base-Base interactions energy: -1787.211
where: short stacking energy: -731.540
Base-Backbone interact. energy: -2.113
local terms energy: -833.953005
where:
bonds (distance) C4'-P energy: -163.173
bonds (distance) P-C4' energy: -163.546
flat angles C4'-P-C4' energy: -165.237
flat angles P-C4'-P energy: -117.005
tors. eta vs tors. theta energy: -224.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -2630.182920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.182920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.182920 (E_RNA)
where:
Base-Base interactions energy: -1812.103
where: short stacking energy: -748.958
Base-Backbone interact. energy: -1.861
local terms energy: -816.218817
where:
bonds (distance) C4'-P energy: -155.544
bonds (distance) P-C4' energy: -147.524
flat angles C4'-P-C4' energy: -172.483
flat angles P-C4'-P energy: -104.317
tors. eta vs tors. theta energy: -236.352
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: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -2286.166744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.166744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.166744 (E_RNA)
where:
Base-Base interactions energy: -1554.710
where: short stacking energy: -649.729
Base-Backbone interact. energy: -5.492
local terms energy: -725.964687
where:
bonds (distance) C4'-P energy: -127.700
bonds (distance) P-C4' energy: -145.511
flat angles C4'-P-C4' energy: -155.526
flat angles P-C4'-P energy: -111.957
tors. eta vs tors. theta energy: -185.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -2276.315913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.315913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.315913 (E_RNA)
where:
Base-Base interactions energy: -1543.909
where: short stacking energy: -641.881
Base-Backbone interact. energy: 0.692
local terms energy: -733.098887
where:
bonds (distance) C4'-P energy: -134.210
bonds (distance) P-C4' energy: -135.696
flat angles C4'-P-C4' energy: -153.212
flat angles P-C4'-P energy: -112.429
tors. eta vs tors. theta energy: -197.552
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: 4
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1989.533993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.533993 (E_RNA)
where:
Base-Base interactions energy: -1334.474
where: short stacking energy: -565.566
Base-Backbone interact. energy: -1.616
local terms energy: -653.444577
where:
bonds (distance) C4'-P energy: -126.747
bonds (distance) P-C4' energy: -138.854
flat angles C4'-P-C4' energy: -141.778
flat angles P-C4'-P energy: -97.951
tors. eta vs tors. theta energy: -148.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1708.118550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.118550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.118550 (E_RNA)
where:
Base-Base interactions energy: -1097.417
where: short stacking energy: -474.797
Base-Backbone interact. energy: -3.932
local terms energy: -606.770012
where:
bonds (distance) C4'-P energy: -124.185
bonds (distance) P-C4' energy: -143.974
flat angles C4'-P-C4' energy: -139.691
flat angles P-C4'-P energy: -89.225
tors. eta vs tors. theta energy: -109.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1676.652870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.652870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.652870 (E_RNA)
where:
Base-Base interactions energy: -1064.873
where: short stacking energy: -473.664
Base-Backbone interact. energy: -2.261
local terms energy: -609.519210
where:
bonds (distance) C4'-P energy: -140.476
bonds (distance) P-C4' energy: -132.865
flat angles C4'-P-C4' energy: -147.326
flat angles P-C4'-P energy: -82.870
tors. eta vs tors. theta energy: -105.981
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: 7
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -1285.072052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.072052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.072052 (E_RNA)
where:
Base-Base interactions energy: -786.983
where: short stacking energy: -368.934
Base-Backbone interact. energy: -2.118
local terms energy: -495.971432
where:
bonds (distance) C4'-P energy: -125.739
bonds (distance) P-C4' energy: -118.595
flat angles C4'-P-C4' energy: -109.269
flat angles P-C4'-P energy: -79.377
tors. eta vs tors. theta energy: -62.991
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: 209
Temperature: 1.300000
Total energy: -781.478992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.478992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.478992 (E_RNA)
where:
Base-Base interactions energy: -409.025
where: short stacking energy: -220.252
Base-Backbone interact. energy: -2.549
local terms energy: -369.905041
where:
bonds (distance) C4'-P energy: -86.770
bonds (distance) P-C4' energy: -134.189
flat angles C4'-P-C4' energy: -110.279
flat angles P-C4'-P energy: -39.107
tors. eta vs tors. theta energy: 0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -583.231262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.231262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.231262 (E_RNA)
where:
Base-Base interactions energy: -191.846
where: short stacking energy: -150.687
Base-Backbone interact. energy: 0.108
local terms energy: -391.492563
where:
bonds (distance) C4'-P energy: -128.640
bonds (distance) P-C4' energy: -121.114
flat angles C4'-P-C4' energy: -110.803
flat angles P-C4'-P energy: -45.681
tors. eta vs tors. theta energy: 14.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2661.208153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.208153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.208153 (E_RNA)
where:
Base-Base interactions energy: -1843.401
where: short stacking energy: -765.900
Base-Backbone interact. energy: 1.917
local terms energy: -819.724813
where:
bonds (distance) C4'-P energy: -150.152
bonds (distance) P-C4' energy: -150.052
flat angles C4'-P-C4' energy: -178.822
flat angles P-C4'-P energy: -109.236
tors. eta vs tors. theta energy: -231.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -2546.669210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.669210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.669210 (E_RNA)
where:
Base-Base interactions energy: -1739.717
where: short stacking energy: -718.325
Base-Backbone interact. energy: 2.246
local terms energy: -809.197785
where:
bonds (distance) C4'-P energy: -150.538
bonds (distance) P-C4' energy: -154.840
flat angles C4'-P-C4' energy: -166.129
flat angles P-C4'-P energy: -123.901
tors. eta vs tors. theta energy: -213.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -2302.929055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.929055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.929055 (E_RNA)
where:
Base-Base interactions energy: -1552.399
where: short stacking energy: -659.112
Base-Backbone interact. energy: -2.137
local terms energy: -748.392625
where:
bonds (distance) C4'-P energy: -148.227
bonds (distance) P-C4' energy: -140.284
flat angles C4'-P-C4' energy: -174.633
flat angles P-C4'-P energy: -93.188
tors. eta vs tors. theta energy: -192.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -2228.733539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.733539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.733539 (E_RNA)
where:
Base-Base interactions energy: -1486.063
where: short stacking energy: -625.241
Base-Backbone interact. energy: 2.853
local terms energy: -745.523617
where:
bonds (distance) C4'-P energy: -134.636
bonds (distance) P-C4' energy: -139.551
flat angles C4'-P-C4' energy: -170.801
flat angles P-C4'-P energy: -108.890
tors. eta vs tors. theta energy: -191.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1941.867551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.867551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.867551 (E_RNA)
where:
Base-Base interactions energy: -1277.957
where: short stacking energy: -556.980
Base-Backbone interact. energy: -2.837
local terms energy: -661.074115
where:
bonds (distance) C4'-P energy: -130.906
bonds (distance) P-C4' energy: -136.450
flat angles C4'-P-C4' energy: -157.868
flat angles P-C4'-P energy: -87.354
tors. eta vs tors. theta energy: -148.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1716.413169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.413169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.413169 (E_RNA)
where:
Base-Base interactions energy: -1104.445
where: short stacking energy: -464.713
Base-Backbone interact. energy: 3.094
local terms energy: -615.062027
where:
bonds (distance) C4'-P energy: -148.883
bonds (distance) P-C4' energy: -141.665
flat angles C4'-P-C4' energy: -135.870
flat angles P-C4'-P energy: -74.099
tors. eta vs tors. theta energy: -114.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1630.275193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.275193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.275193 (E_RNA)
where:
Base-Base interactions energy: -1019.895
where: short stacking energy: -467.976
Base-Backbone interact. energy: -2.730
local terms energy: -607.649932
where:
bonds (distance) C4'-P energy: -119.860
bonds (distance) P-C4' energy: -133.643
flat angles C4'-P-C4' energy: -150.768
flat angles P-C4'-P energy: -82.961
tors. eta vs tors. theta energy: -120.418
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: 8, replica: 7
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1307.834752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.834752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.834752 (E_RNA)
where:
Base-Base interactions energy: -786.141
where: short stacking energy: -364.806
Base-Backbone interact. energy: -1.597
local terms energy: -520.096267
where:
bonds (distance) C4'-P energy: -134.866
bonds (distance) P-C4' energy: -127.922
flat angles C4'-P-C4' energy: -105.203
flat angles P-C4'-P energy: -88.766
tors. eta vs tors. theta energy: -63.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -792.875941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.875941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.875941 (E_RNA)
where:
Base-Base interactions energy: -408.963
where: short stacking energy: -237.981
Base-Backbone interact. energy: 5.029
local terms energy: -388.941251
where:
bonds (distance) C4'-P energy: -132.308
bonds (distance) P-C4' energy: -111.584
flat angles C4'-P-C4' energy: -98.609
flat angles P-C4'-P energy: -52.896
tors. eta vs tors. theta energy: 6.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -589.469631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.469631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.469631 (E_RNA)
where:
Base-Base interactions energy: -209.138
where: short stacking energy: -139.544
Base-Backbone interact. energy: -5.605
local terms energy: -374.725839
where:
bonds (distance) C4'-P energy: -118.981
bonds (distance) P-C4' energy: -125.706
flat angles C4'-P-C4' energy: -96.365
flat angles P-C4'-P energy: -55.677
tors. eta vs tors. theta energy: 22.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2645.671672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.671672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.671672 (E_RNA)
where:
Base-Base interactions energy: -1822.767
where: short stacking energy: -773.748
Base-Backbone interact. energy: -5.211
local terms energy: -817.693366
where:
bonds (distance) C4'-P energy: -154.894
bonds (distance) P-C4' energy: -165.422
flat angles C4'-P-C4' energy: -165.711
flat angles P-C4'-P energy: -108.243
tors. eta vs tors. theta energy: -223.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -2548.528769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.528769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.528769 (E_RNA)
where:
Base-Base interactions energy: -1737.979
where: short stacking energy: -716.312
Base-Backbone interact. energy: -3.570
local terms energy: -806.980376
where:
bonds (distance) C4'-P energy: -141.262
bonds (distance) P-C4' energy: -170.153
flat angles C4'-P-C4' energy: -167.019
flat angles P-C4'-P energy: -116.258
tors. eta vs tors. theta energy: -212.288
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: 9
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -2300.656581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.656581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.656581 (E_RNA)
where:
Base-Base interactions energy: -1567.810
where: short stacking energy: -655.757
Base-Backbone interact. energy: -1.385
local terms energy: -731.461016
where:
bonds (distance) C4'-P energy: -146.413
bonds (distance) P-C4' energy: -149.777
flat angles C4'-P-C4' energy: -148.018
flat angles P-C4'-P energy: -114.502
tors. eta vs tors. theta energy: -172.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -2297.208875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.208875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.208875 (E_RNA)
where:
Base-Base interactions energy: -1553.883
where: short stacking energy: -613.637
Base-Backbone interact. energy: -0.455
local terms energy: -742.870565
where:
bonds (distance) C4'-P energy: -143.106
bonds (distance) P-C4' energy: -147.396
flat angles C4'-P-C4' energy: -171.439
flat angles P-C4'-P energy: -94.463
tors. eta vs tors. theta energy: -186.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1928.207187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.207187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.207187 (E_RNA)
where:
Base-Base interactions energy: -1303.227
where: short stacking energy: -544.431
Base-Backbone interact. energy: 0.656
local terms energy: -625.636454
where:
bonds (distance) C4'-P energy: -121.398
bonds (distance) P-C4' energy: -106.268
flat angles C4'-P-C4' energy: -166.595
flat angles P-C4'-P energy: -86.094
tors. eta vs tors. theta energy: -145.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1654.960465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.960465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.960465 (E_RNA)
where:
Base-Base interactions energy: -1061.730
where: short stacking energy: -489.035
Base-Backbone interact. energy: -2.325
local terms energy: -590.905516
where:
bonds (distance) C4'-P energy: -120.122
bonds (distance) P-C4' energy: -141.479
flat angles C4'-P-C4' energy: -141.061
flat angles P-C4'-P energy: -86.832
tors. eta vs tors. theta energy: -101.411
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1611.040021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.040021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.040021 (E_RNA)
where:
Base-Base interactions energy: -1037.476
where: short stacking energy: -452.991
Base-Backbone interact. energy: 1.717
local terms energy: -575.280977
where:
bonds (distance) C4'-P energy: -129.938
bonds (distance) P-C4' energy: -140.757
flat angles C4'-P-C4' energy: -119.964
flat angles P-C4'-P energy: -76.668
tors. eta vs tors. theta energy: -107.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1367.817065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.817065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.817065 (E_RNA)
where:
Base-Base interactions energy: -875.778
where: short stacking energy: -398.657
Base-Backbone interact. energy: -2.021
local terms energy: -490.017502
where:
bonds (distance) C4'-P energy: -107.945
bonds (distance) P-C4' energy: -111.123
flat angles C4'-P-C4' energy: -129.295
flat angles P-C4'-P energy: -61.658
tors. eta vs tors. theta energy: -79.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -813.866780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.866780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.866780 (E_RNA)
where:
Base-Base interactions energy: -366.665
where: short stacking energy: -207.214
Base-Backbone interact. energy: -5.010
local terms energy: -442.191641
where:
bonds (distance) C4'-P energy: -139.601
bonds (distance) P-C4' energy: -123.503
flat angles C4'-P-C4' energy: -113.670
flat angles P-C4'-P energy: -72.636
tors. eta vs tors. theta energy: 7.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -595.143327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.143327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.143327 (E_RNA)
where:
Base-Base interactions energy: -207.076
where: short stacking energy: -163.618
Base-Backbone interact. energy: 1.506
local terms energy: -389.573222
where:
bonds (distance) C4'-P energy: -134.079
bonds (distance) P-C4' energy: -125.578
flat angles C4'-P-C4' energy: -105.830
flat angles P-C4'-P energy: -49.621
tors. eta vs tors. theta energy: 25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -2640.691268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2640.691268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2640.691268 (E_RNA)
where:
Base-Base interactions energy: -1837.771
where: short stacking energy: -775.734
Base-Backbone interact. energy: -3.543
local terms energy: -799.377036
where:
bonds (distance) C4'-P energy: -139.755
bonds (distance) P-C4' energy: -142.407
flat angles C4'-P-C4' energy: -167.180
flat angles P-C4'-P energy: -116.445
tors. eta vs tors. theta energy: -233.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -2536.432416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.432416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.432416 (E_RNA)
where:
Base-Base interactions energy: -1731.753
where: short stacking energy: -716.310
Base-Backbone interact. energy: -4.831
local terms energy: -799.848604
where:
bonds (distance) C4'-P energy: -140.037
bonds (distance) P-C4' energy: -160.913
flat angles C4'-P-C4' energy: -166.506
flat angles P-C4'-P energy: -114.130
tors. eta vs tors. theta energy: -218.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -2325.806640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.806640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.806640 (E_RNA)
where:
Base-Base interactions energy: -1578.557
where: short stacking energy: -641.124
Base-Backbone interact. energy: -3.972
local terms energy: -743.277512
where:
bonds (distance) C4'-P energy: -152.381
bonds (distance) P-C4' energy: -135.633
flat angles C4'-P-C4' energy: -160.333
flat angles P-C4'-P energy: -103.923
tors. eta vs tors. theta energy: -191.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -2243.075957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.075957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.075957 (E_RNA)
where:
Base-Base interactions energy: -1508.110
where: short stacking energy: -643.578
Base-Backbone interact. energy: -4.251
local terms energy: -730.714965
where:
bonds (distance) C4'-P energy: -135.912
bonds (distance) P-C4' energy: -143.191
flat angles C4'-P-C4' energy: -150.288
flat angles P-C4'-P energy: -106.028
tors. eta vs tors. theta energy: -195.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1949.410579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.410579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.410579 (E_RNA)
where:
Base-Base interactions energy: -1286.376
where: short stacking energy: -563.618
Base-Backbone interact. energy: -1.233
local terms energy: -661.800997
where:
bonds (distance) C4'-P energy: -134.955
bonds (distance) P-C4' energy: -133.766
flat angles C4'-P-C4' energy: -150.664
flat angles P-C4'-P energy: -90.260
tors. eta vs tors. theta energy: -152.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1650.967544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.967544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.967544 (E_RNA)
where:
Base-Base interactions energy: -1068.264
where: short stacking energy: -451.816
Base-Backbone interact. energy: -3.188
local terms energy: -579.514684
where:
bonds (distance) C4'-P energy: -129.246
bonds (distance) P-C4' energy: -122.871
flat angles C4'-P-C4' energy: -133.989
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -111.185
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: 10
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1620.224390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.224390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.224390 (E_RNA)
where:
Base-Base interactions energy: -996.050
where: short stacking energy: -455.639
Base-Backbone interact. energy: 0.359
local terms energy: -624.532795
where:
bonds (distance) C4'-P energy: -146.976
bonds (distance) P-C4' energy: -136.294
flat angles C4'-P-C4' energy: -140.454
flat angles P-C4'-P energy: -90.059
tors. eta vs tors. theta energy: -110.749
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: 7
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1415.553576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.553576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.553576 (E_RNA)
where:
Base-Base interactions energy: -857.845
where: short stacking energy: -407.562
Base-Backbone interact. energy: 1.109
local terms energy: -558.817640
where:
bonds (distance) C4'-P energy: -115.227
bonds (distance) P-C4' energy: -143.315
flat angles C4'-P-C4' energy: -138.265
flat angles P-C4'-P energy: -88.495
tors. eta vs tors. theta energy: -73.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -889.731649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.731649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.731649 (E_RNA)
where:
Base-Base interactions energy: -439.828
where: short stacking energy: -226.183
Base-Backbone interact. energy: -2.109
local terms energy: -447.794652
where:
bonds (distance) C4'-P energy: -123.074
bonds (distance) P-C4' energy: -138.810
flat angles C4'-P-C4' energy: -105.011
flat angles P-C4'-P energy: -64.175
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -567.014071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.014071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.014071 (E_RNA)
where:
Base-Base interactions energy: -240.049
where: short stacking energy: -191.935
Base-Backbone interact. energy: 2.407
local terms energy: -329.372090
where:
bonds (distance) C4'-P energy: -105.555
bonds (distance) P-C4' energy: -132.554
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -55.125
tors. eta vs tors. theta energy: 27.461
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: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2686.839240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.839240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.839240 (E_RNA)
where:
Base-Base interactions energy: -1852.963
where: short stacking energy: -760.718
Base-Backbone interact. energy: -6.360
local terms energy: -827.516789
where:
bonds (distance) C4'-P energy: -155.038
bonds (distance) P-C4' energy: -152.192
flat angles C4'-P-C4' energy: -169.997
flat angles P-C4'-P energy: -117.214
tors. eta vs tors. theta energy: -233.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -2537.229912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.229912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.229912 (E_RNA)
where:
Base-Base interactions energy: -1769.220
where: short stacking energy: -719.358
Base-Backbone interact. energy: 1.198
local terms energy: -769.207623
where:
bonds (distance) C4'-P energy: -148.197
bonds (distance) P-C4' energy: -143.145
flat angles C4'-P-C4' energy: -163.796
flat angles P-C4'-P energy: -103.357
tors. eta vs tors. theta energy: -210.713
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: 3, replica: 3
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -2354.373161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.373161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.373161 (E_RNA)
where:
Base-Base interactions energy: -1640.939
where: short stacking energy: -671.925
Base-Backbone interact. energy: -3.381
local terms energy: -710.053560
where:
bonds (distance) C4'-P energy: -122.337
bonds (distance) P-C4' energy: -139.275
flat angles C4'-P-C4' energy: -157.874
flat angles P-C4'-P energy: -107.325
tors. eta vs tors. theta energy: -183.242
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: 4, replica: 9
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -2232.831076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.831076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.831076 (E_RNA)
where:
Base-Base interactions energy: -1507.309
where: short stacking energy: -646.410
Base-Backbone interact. energy: 3.979
local terms energy: -729.500611
where:
bonds (distance) C4'-P energy: -130.236
bonds (distance) P-C4' energy: -146.413
flat angles C4'-P-C4' energy: -150.805
flat angles P-C4'-P energy: -104.841
tors. eta vs tors. theta energy: -197.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1946.148972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.148972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.148972 (E_RNA)
where:
Base-Base interactions energy: -1300.101
where: short stacking energy: -587.819
Base-Backbone interact. energy: -4.044
local terms energy: -642.004006
where:
bonds (distance) C4'-P energy: -123.649
bonds (distance) P-C4' energy: -111.286
flat angles C4'-P-C4' energy: -155.995
flat angles P-C4'-P energy: -104.518
tors. eta vs tors. theta energy: -146.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1721.830494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.830494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.830494 (E_RNA)
where:
Base-Base interactions energy: -1096.703
where: short stacking energy: -505.097
Base-Backbone interact. energy: -2.522
local terms energy: -622.605951
where:
bonds (distance) C4'-P energy: -129.078
bonds (distance) P-C4' energy: -137.030
flat angles C4'-P-C4' energy: -132.546
flat angles P-C4'-P energy: -97.375
tors. eta vs tors. theta energy: -126.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1662.971487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.971487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.971487 (E_RNA)
where:
Base-Base interactions energy: -1082.851
where: short stacking energy: -455.590
Base-Backbone interact. energy: -1.248
local terms energy: -578.872326
where:
bonds (distance) C4'-P energy: -131.512
bonds (distance) P-C4' energy: -133.505
flat angles C4'-P-C4' energy: -115.259
flat angles P-C4'-P energy: -82.611
tors. eta vs tors. theta energy: -115.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1397.392644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.392644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.392644 (E_RNA)
where:
Base-Base interactions energy: -884.082
where: short stacking energy: -403.544
Base-Backbone interact. energy: -1.673
local terms energy: -511.637829
where:
bonds (distance) C4'-P energy: -133.334
bonds (distance) P-C4' energy: -118.110
flat angles C4'-P-C4' energy: -114.643
flat angles P-C4'-P energy: -71.714
tors. eta vs tors. theta energy: -73.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -943.992354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.992354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.992354 (E_RNA)
where:
Base-Base interactions energy: -524.929
where: short stacking energy: -271.191
Base-Backbone interact. energy: -0.287
local terms energy: -418.776402
where:
bonds (distance) C4'-P energy: -106.309
bonds (distance) P-C4' energy: -134.601
flat angles C4'-P-C4' energy: -111.175
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: -15.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -559.704642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.704642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.704642 (E_RNA)
where:
Base-Base interactions energy: -160.664
where: short stacking energy: -140.935
Base-Backbone interact. energy: -2.143
local terms energy: -396.898386
where:
bonds (distance) C4'-P energy: -131.602
bonds (distance) P-C4' energy: -131.504
flat angles C4'-P-C4' energy: -95.763
flat angles P-C4'-P energy: -73.339
tors. eta vs tors. theta energy: 35.310
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: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2641.037284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2641.037284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2641.037284 (E_RNA)
where:
Base-Base interactions energy: -1829.179
where: short stacking energy: -764.783
Base-Backbone interact. energy: -3.130
local terms energy: -808.728235
where:
bonds (distance) C4'-P energy: -134.029
bonds (distance) P-C4' energy: -165.951
flat angles C4'-P-C4' energy: -176.228
flat angles P-C4'-P energy: -103.774
tors. eta vs tors. theta energy: -228.747
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: 8
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -2516.677500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2516.677500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2516.677500 (E_RNA)
where:
Base-Base interactions energy: -1715.438
where: short stacking energy: -716.681
Base-Backbone interact. energy: -4.945
local terms energy: -796.293852
where:
bonds (distance) C4'-P energy: -148.207
bonds (distance) P-C4' energy: -147.833
flat angles C4'-P-C4' energy: -174.595
flat angles P-C4'-P energy: -114.159
tors. eta vs tors. theta energy: -211.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -2347.284525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.284525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.284525 (E_RNA)
where:
Base-Base interactions energy: -1600.259
where: short stacking energy: -649.818
Base-Backbone interact. energy: -0.819
local terms energy: -746.206492
where:
bonds (distance) C4'-P energy: -143.747
bonds (distance) P-C4' energy: -141.469
flat angles C4'-P-C4' energy: -172.129
flat angles P-C4'-P energy: -88.238
tors. eta vs tors. theta energy: -200.624
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: 4, replica: 9
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -2224.202732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2224.202732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2224.202732 (E_RNA)
where:
Base-Base interactions energy: -1490.244
where: short stacking energy: -630.576
Base-Backbone interact. energy: -0.470
local terms energy: -733.489113
where:
bonds (distance) C4'-P energy: -139.207
bonds (distance) P-C4' energy: -141.258
flat angles C4'-P-C4' energy: -154.955
flat angles P-C4'-P energy: -104.530
tors. eta vs tors. theta energy: -193.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1985.329697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.329697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.329697 (E_RNA)
where:
Base-Base interactions energy: -1308.337
where: short stacking energy: -577.183
Base-Backbone interact. energy: -2.008
local terms energy: -674.984755
where:
bonds (distance) C4'-P energy: -124.940
bonds (distance) P-C4' energy: -126.732
flat angles C4'-P-C4' energy: -155.198
flat angles P-C4'-P energy: -109.500
tors. eta vs tors. theta energy: -158.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1747.386725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.386725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.386725 (E_RNA)
where:
Base-Base interactions energy: -1101.914
where: short stacking energy: -506.821
Base-Backbone interact. energy: -5.388
local terms energy: -640.084626
where:
bonds (distance) C4'-P energy: -136.738
bonds (distance) P-C4' energy: -135.653
flat angles C4'-P-C4' energy: -139.300
flat angles P-C4'-P energy: -91.526
tors. eta vs tors. theta energy: -136.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1617.977682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.977682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.977682 (E_RNA)
where:
Base-Base interactions energy: -1041.516
where: short stacking energy: -476.710
Base-Backbone interact. energy: -0.214
local terms energy: -576.247960
where:
bonds (distance) C4'-P energy: -124.681
bonds (distance) P-C4' energy: -133.374
flat angles C4'-P-C4' energy: -125.103
flat angles P-C4'-P energy: -73.383
tors. eta vs tors. theta energy: -119.707
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: 8, replica: 7
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1324.350790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.350790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.350790 (E_RNA)
where:
Base-Base interactions energy: -809.963
where: short stacking energy: -350.053
Base-Backbone interact. energy: 11.306
local terms energy: -525.693383
where:
bonds (distance) C4'-P energy: -126.805
bonds (distance) P-C4' energy: -135.985
flat angles C4'-P-C4' energy: -127.093
flat angles P-C4'-P energy: -87.275
tors. eta vs tors. theta energy: -48.535
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: 214
Temperature: 1.300000
Total energy: -862.130848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.130848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.130848 (E_RNA)
where:
Base-Base interactions energy: -421.736
where: short stacking energy: -245.643
Base-Backbone interact. energy: 1.285
local terms energy: -441.679673
where:
bonds (distance) C4'-P energy: -122.434
bonds (distance) P-C4' energy: -116.573
flat angles C4'-P-C4' energy: -127.037
flat angles P-C4'-P energy: -55.677
tors. eta vs tors. theta energy: -19.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -607.704912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.704912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.704912 (E_RNA)
where:
Base-Base interactions energy: -235.484
where: short stacking energy: -157.415
Base-Backbone interact. energy: 1.038
local terms energy: -373.258090
where:
bonds (distance) C4'-P energy: -120.237
bonds (distance) P-C4' energy: -133.725
flat angles C4'-P-C4' energy: -110.397
flat angles P-C4'-P energy: -27.489
tors. eta vs tors. theta energy: 18.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2648.709338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.709338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.709338 (E_RNA)
where:
Base-Base interactions energy: -1836.439
where: short stacking energy: -737.720
Base-Backbone interact. energy: -4.801
local terms energy: -807.468815
where:
bonds (distance) C4'-P energy: -134.451
bonds (distance) P-C4' energy: -151.507
flat angles C4'-P-C4' energy: -179.283
flat angles P-C4'-P energy: -99.979
tors. eta vs tors. theta energy: -242.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -2527.026798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.026798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.026798 (E_RNA)
where:
Base-Base interactions energy: -1708.367
where: short stacking energy: -699.555
Base-Backbone interact. energy: -1.874
local terms energy: -816.786309
where:
bonds (distance) C4'-P energy: -159.116
bonds (distance) P-C4' energy: -153.504
flat angles C4'-P-C4' energy: -173.938
flat angles P-C4'-P energy: -115.298
tors. eta vs tors. theta energy: -214.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -2353.948238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.948238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.948238 (E_RNA)
where:
Base-Base interactions energy: -1616.479
where: short stacking energy: -677.537
Base-Backbone interact. energy: -0.979
local terms energy: -736.490752
where:
bonds (distance) C4'-P energy: -140.735
bonds (distance) P-C4' energy: -146.379
flat angles C4'-P-C4' energy: -169.654
flat angles P-C4'-P energy: -83.414
tors. eta vs tors. theta energy: -196.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -2289.910321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.910321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.910321 (E_RNA)
where:
Base-Base interactions energy: -1577.733
where: short stacking energy: -654.769
Base-Backbone interact. energy: -1.411
local terms energy: -710.766462
where:
bonds (distance) C4'-P energy: -127.596
bonds (distance) P-C4' energy: -145.469
flat angles C4'-P-C4' energy: -156.305
flat angles P-C4'-P energy: -103.315
tors. eta vs tors. theta energy: -178.081
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: 5, replica: 4
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1969.541028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.541028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.541028 (E_RNA)
where:
Base-Base interactions energy: -1313.569
where: short stacking energy: -593.598
Base-Backbone interact. energy: 1.397
local terms energy: -657.369533
where:
bonds (distance) C4'-P energy: -144.121
bonds (distance) P-C4' energy: -120.255
flat angles C4'-P-C4' energy: -159.058
flat angles P-C4'-P energy: -84.303
tors. eta vs tors. theta energy: -149.632
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: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1767.083641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.083641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.083641 (E_RNA)
where:
Base-Base interactions energy: -1148.040
where: short stacking energy: -514.822
Base-Backbone interact. energy: -2.778
local terms energy: -616.265747
where:
bonds (distance) C4'-P energy: -110.926
bonds (distance) P-C4' energy: -142.016
flat angles C4'-P-C4' energy: -140.678
flat angles P-C4'-P energy: -93.562
tors. eta vs tors. theta energy: -129.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1537.180352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.180352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.180352 (E_RNA)
where:
Base-Base interactions energy: -977.331
where: short stacking energy: -431.270
Base-Backbone interact. energy: -1.830
local terms energy: -558.019066
where:
bonds (distance) C4'-P energy: -116.071
bonds (distance) P-C4' energy: -117.602
flat angles C4'-P-C4' energy: -136.741
flat angles P-C4'-P energy: -78.505
tors. eta vs tors. theta energy: -109.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1339.811002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.811002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.811002 (E_RNA)
where:
Base-Base interactions energy: -823.267
where: short stacking energy: -377.914
Base-Backbone interact. energy: 2.322
local terms energy: -518.865903
where:
bonds (distance) C4'-P energy: -115.246
bonds (distance) P-C4' energy: -125.286
flat angles C4'-P-C4' energy: -129.338
flat angles P-C4'-P energy: -80.117
tors. eta vs tors. theta energy: -68.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -840.931034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.931034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.931034 (E_RNA)
where:
Base-Base interactions energy: -415.158
where: short stacking energy: -233.579
Base-Backbone interact. energy: -0.119
local terms energy: -425.653552
where:
bonds (distance) C4'-P energy: -124.236
bonds (distance) P-C4' energy: -129.206
flat angles C4'-P-C4' energy: -107.343
flat angles P-C4'-P energy: -66.631
tors. eta vs tors. theta energy: 1.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -575.770555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.770555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.770555 (E_RNA)
where:
Base-Base interactions energy: -205.078
where: short stacking energy: -132.126
Base-Backbone interact. energy: -0.638
local terms energy: -370.054226
where:
bonds (distance) C4'-P energy: -112.784
bonds (distance) P-C4' energy: -123.677
flat angles C4'-P-C4' energy: -116.961
flat angles P-C4'-P energy: -68.281
tors. eta vs tors. theta energy: 51.648
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: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2678.261370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.261370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.261370 (E_RNA)
where:
Base-Base interactions energy: -1860.214
where: short stacking energy: -756.805
Base-Backbone interact. energy: -3.785
local terms energy: -814.262317
where:
bonds (distance) C4'-P energy: -143.694
bonds (distance) P-C4' energy: -152.873
flat angles C4'-P-C4' energy: -177.199
flat angles P-C4'-P energy: -116.184
tors. eta vs tors. theta energy: -224.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -2530.325697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.325697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.325697 (E_RNA)
where:
Base-Base interactions energy: -1747.241
where: short stacking energy: -733.595
Base-Backbone interact. energy: -4.500
local terms energy: -778.585127
where:
bonds (distance) C4'-P energy: -149.858
bonds (distance) P-C4' energy: -140.532
flat angles C4'-P-C4' energy: -167.948
flat angles P-C4'-P energy: -98.705
tors. eta vs tors. theta energy: -221.542
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: 3, replica: 3
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -2355.340152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.340152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.340152 (E_RNA)
where:
Base-Base interactions energy: -1633.972
where: short stacking energy: -687.134
Base-Backbone interact. energy: -0.070
local terms energy: -721.298162
where:
bonds (distance) C4'-P energy: -125.769
bonds (distance) P-C4' energy: -124.326
flat angles C4'-P-C4' energy: -168.400
flat angles P-C4'-P energy: -101.481
tors. eta vs tors. theta energy: -201.323
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: 9
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -2260.451917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2260.451917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2260.451917 (E_RNA)
where:
Base-Base interactions energy: -1554.719
where: short stacking energy: -623.735
Base-Backbone interact. energy: -2.387
local terms energy: -703.345893
where:
bonds (distance) C4'-P energy: -140.657
bonds (distance) P-C4' energy: -126.684
flat angles C4'-P-C4' energy: -158.925
flat angles P-C4'-P energy: -108.548
tors. eta vs tors. theta energy: -168.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1964.739164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.739164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.739164 (E_RNA)
where:
Base-Base interactions energy: -1292.659
where: short stacking energy: -559.896
Base-Backbone interact. energy: 2.414
local terms energy: -674.493468
where:
bonds (distance) C4'-P energy: -128.982
bonds (distance) P-C4' energy: -127.300
flat angles C4'-P-C4' energy: -159.505
flat angles P-C4'-P energy: -113.922
tors. eta vs tors. theta energy: -144.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1728.508704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.508704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.508704 (E_RNA)
where:
Base-Base interactions energy: -1122.995
where: short stacking energy: -502.115
Base-Backbone interact. energy: -0.969
local terms energy: -604.544759
where:
bonds (distance) C4'-P energy: -123.160
bonds (distance) P-C4' energy: -116.627
flat angles C4'-P-C4' energy: -144.664
flat angles P-C4'-P energy: -89.524
tors. eta vs tors. theta energy: -130.569
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1589.110404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.110404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.110404 (E_RNA)
where:
Base-Base interactions energy: -996.656
where: short stacking energy: -431.453
Base-Backbone interact. energy: -2.568
local terms energy: -589.886434
where:
bonds (distance) C4'-P energy: -115.211
bonds (distance) P-C4' energy: -135.109
flat angles C4'-P-C4' energy: -143.676
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -109.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1293.397810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.397810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.397810 (E_RNA)
where:
Base-Base interactions energy: -758.897
where: short stacking energy: -363.447
Base-Backbone interact. energy: 0.040
local terms energy: -534.540675
where:
bonds (distance) C4'-P energy: -144.835
bonds (distance) P-C4' energy: -135.242
flat angles C4'-P-C4' energy: -121.074
flat angles P-C4'-P energy: -71.135
tors. eta vs tors. theta energy: -62.254
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: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -861.682629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.682629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.682629 (E_RNA)
where:
Base-Base interactions energy: -443.480
where: short stacking energy: -236.262
Base-Backbone interact. energy: -4.495
local terms energy: -413.707765
where:
bonds (distance) C4'-P energy: -131.833
bonds (distance) P-C4' energy: -116.970
flat angles C4'-P-C4' energy: -108.866
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -640.764178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.764178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.764178 (E_RNA)
where:
Base-Base interactions energy: -254.691
where: short stacking energy: -151.418
Base-Backbone interact. energy: -0.455
local terms energy: -385.618230
where:
bonds (distance) C4'-P energy: -122.702
bonds (distance) P-C4' energy: -136.524
flat angles C4'-P-C4' energy: -79.233
flat angles P-C4'-P energy: -76.948
tors. eta vs tors. theta energy: 29.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2639.182285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.182285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.182285 (E_RNA)
where:
Base-Base interactions energy: -1816.480
where: short stacking energy: -760.712
Base-Backbone interact. energy: -2.211
local terms energy: -820.491407
where:
bonds (distance) C4'-P energy: -148.341
bonds (distance) P-C4' energy: -154.380
flat angles C4'-P-C4' energy: -172.574
flat angles P-C4'-P energy: -114.721
tors. eta vs tors. theta energy: -230.475
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: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -2564.036884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.036884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.036884 (E_RNA)
where:
Base-Base interactions energy: -1773.900
where: short stacking energy: -729.936
Base-Backbone interact. energy: -1.495
local terms energy: -788.642465
where:
bonds (distance) C4'-P energy: -150.841
bonds (distance) P-C4' energy: -140.389
flat angles C4'-P-C4' energy: -171.461
flat angles P-C4'-P energy: -108.890
tors. eta vs tors. theta energy: -217.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -2374.692335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.692335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.692335 (E_RNA)
where:
Base-Base interactions energy: -1610.449
where: short stacking energy: -686.188
Base-Backbone interact. energy: 0.095
local terms energy: -764.337976
where:
bonds (distance) C4'-P energy: -148.709
bonds (distance) P-C4' energy: -146.093
flat angles C4'-P-C4' energy: -153.153
flat angles P-C4'-P energy: -109.107
tors. eta vs tors. theta energy: -207.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -2257.505969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.505969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.505969 (E_RNA)
where:
Base-Base interactions energy: -1528.484
where: short stacking energy: -618.198
Base-Backbone interact. energy: -2.689
local terms energy: -726.332881
where:
bonds (distance) C4'-P energy: -147.190
bonds (distance) P-C4' energy: -144.349
flat angles C4'-P-C4' energy: -157.066
flat angles P-C4'-P energy: -92.168
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: 5, replica: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1966.150106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.150106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.150106 (E_RNA)
where:
Base-Base interactions energy: -1325.726
where: short stacking energy: -564.373
Base-Backbone interact. energy: 9.967
local terms energy: -650.391245
where:
bonds (distance) C4'-P energy: -125.470
bonds (distance) P-C4' energy: -123.589
flat angles C4'-P-C4' energy: -143.346
flat angles P-C4'-P energy: -100.622
tors. eta vs tors. theta energy: -157.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1709.560219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.560219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.560219 (E_RNA)
where:
Base-Base interactions energy: -1084.100
where: short stacking energy: -501.800
Base-Backbone interact. energy: -3.886
local terms energy: -621.574218
where:
bonds (distance) C4'-P energy: -121.932
bonds (distance) P-C4' energy: -132.590
flat angles C4'-P-C4' energy: -150.928
flat angles P-C4'-P energy: -91.153
tors. eta vs tors. theta energy: -124.971
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: 5
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1601.674935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.674935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.674935 (E_RNA)
where:
Base-Base interactions energy: -1036.549
where: short stacking energy: -453.023
Base-Backbone interact. energy: -1.710
local terms energy: -563.416016
where:
bonds (distance) C4'-P energy: -107.447
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -138.224
flat angles P-C4'-P energy: -85.762
tors. eta vs tors. theta energy: -114.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1332.321233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.321233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.321233 (E_RNA)
where:
Base-Base interactions energy: -830.351
where: short stacking energy: -367.585
Base-Backbone interact. energy: -2.657
local terms energy: -499.312794
where:
bonds (distance) C4'-P energy: -127.489
bonds (distance) P-C4' energy: -122.165
flat angles C4'-P-C4' energy: -126.601
flat angles P-C4'-P energy: -74.547
tors. eta vs tors. theta energy: -48.511
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: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -839.751737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.751737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.751737 (E_RNA)
where:
Base-Base interactions energy: -376.837
where: short stacking energy: -206.591
Base-Backbone interact. energy: -2.835
local terms energy: -460.079328
where:
bonds (distance) C4'-P energy: -149.672
bonds (distance) P-C4' energy: -143.550
flat angles C4'-P-C4' energy: -106.059
flat angles P-C4'-P energy: -59.302
tors. eta vs tors. theta energy: -1.497
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: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -639.732774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.732774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.732774 (E_RNA)
where:
Base-Base interactions energy: -259.045
where: short stacking energy: -173.728
Base-Backbone interact. energy: -2.154
local terms energy: -378.532983
where:
bonds (distance) C4'-P energy: -116.887
bonds (distance) P-C4' energy: -121.616
flat angles C4'-P-C4' energy: -115.025
flat angles P-C4'-P energy: -54.127
tors. eta vs tors. theta energy: 29.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2674.272738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.272738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.272738 (E_RNA)
where:
Base-Base interactions energy: -1848.185
where: short stacking energy: -779.595
Base-Backbone interact. energy: -1.857
local terms energy: -824.231305
where:
bonds (distance) C4'-P energy: -132.752
bonds (distance) P-C4' energy: -158.587
flat angles C4'-P-C4' energy: -181.412
flat angles P-C4'-P energy: -116.580
tors. eta vs tors. theta energy: -234.901
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -2538.168507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.168507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.168507 (E_RNA)
where:
Base-Base interactions energy: -1767.032
where: short stacking energy: -727.895
Base-Backbone interact. energy: 0.611
local terms energy: -771.746748
where:
bonds (distance) C4'-P energy: -145.725
bonds (distance) P-C4' energy: -153.693
flat angles C4'-P-C4' energy: -171.307
flat angles P-C4'-P energy: -95.340
tors. eta vs tors. theta energy: -205.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -2377.802124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.802124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.802124 (E_RNA)
where:
Base-Base interactions energy: -1643.694
where: short stacking energy: -673.874
Base-Backbone interact. energy: -2.228
local terms energy: -731.880144
where:
bonds (distance) C4'-P energy: -147.224
bonds (distance) P-C4' energy: -138.399
flat angles C4'-P-C4' energy: -145.388
flat angles P-C4'-P energy: -98.008
tors. eta vs tors. theta energy: -202.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -2268.094662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.094662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.094662 (E_RNA)
where:
Base-Base interactions energy: -1536.168
where: short stacking energy: -660.175
Base-Backbone interact. energy: 1.951
local terms energy: -733.877683
where:
bonds (distance) C4'-P energy: -153.059
bonds (distance) P-C4' energy: -136.614
flat angles C4'-P-C4' energy: -150.751
flat angles P-C4'-P energy: -97.533
tors. eta vs tors. theta energy: -195.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -2030.390211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.390211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.390211 (E_RNA)
where:
Base-Base interactions energy: -1355.005
where: short stacking energy: -579.500
Base-Backbone interact. energy: -4.081
local terms energy: -671.304318
where:
bonds (distance) C4'-P energy: -144.659
bonds (distance) P-C4' energy: -136.858
flat angles C4'-P-C4' energy: -146.168
flat angles P-C4'-P energy: -80.781
tors. eta vs tors. theta energy: -162.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1714.991382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.991382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.991382 (E_RNA)
where:
Base-Base interactions energy: -1079.929
where: short stacking energy: -496.231
Base-Backbone interact. energy: 2.822
local terms energy: -637.883424
where:
bonds (distance) C4'-P energy: -128.973
bonds (distance) P-C4' energy: -137.910
flat angles C4'-P-C4' energy: -141.176
flat angles P-C4'-P energy: -93.584
tors. eta vs tors. theta energy: -136.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1518.736095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.736095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.736095 (E_RNA)
where:
Base-Base interactions energy: -942.636
where: short stacking energy: -402.104
Base-Backbone interact. energy: 2.669
local terms energy: -578.768748
where:
bonds (distance) C4'-P energy: -122.136
bonds (distance) P-C4' energy: -145.305
flat angles C4'-P-C4' energy: -132.603
flat angles P-C4'-P energy: -88.274
tors. eta vs tors. theta energy: -90.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1251.035822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.035822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.035822 (E_RNA)
where:
Base-Base interactions energy: -768.246
where: short stacking energy: -358.126
Base-Backbone interact. energy: -4.228
local terms energy: -478.562198
where:
bonds (distance) C4'-P energy: -111.355
bonds (distance) P-C4' energy: -105.533
flat angles C4'-P-C4' energy: -143.611
flat angles P-C4'-P energy: -69.369
tors. eta vs tors. theta energy: -48.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -866.636380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.636380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.636380 (E_RNA)
where:
Base-Base interactions energy: -419.236
where: short stacking energy: -244.229
Base-Backbone interact. energy: 0.696
local terms energy: -448.096187
where:
bonds (distance) C4'-P energy: -125.254
bonds (distance) P-C4' energy: -144.255
flat angles C4'-P-C4' energy: -113.578
flat angles P-C4'-P energy: -60.185
tors. eta vs tors. theta energy: -4.824
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: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -616.875157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.875157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.875157 (E_RNA)
where:
Base-Base interactions energy: -233.683
where: short stacking energy: -186.705
Base-Backbone interact. energy: 0.316
local terms energy: -383.508860
where:
bonds (distance) C4'-P energy: -127.408
bonds (distance) P-C4' energy: -123.806
flat angles C4'-P-C4' energy: -106.457
flat angles P-C4'-P energy: -42.449
tors. eta vs tors. theta energy: 16.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2663.544677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.544677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.544677 (E_RNA)
where:
Base-Base interactions energy: -1823.095
where: short stacking energy: -767.265
Base-Backbone interact. energy: -6.083
local terms energy: -834.366574
where:
bonds (distance) C4'-P energy: -151.793
bonds (distance) P-C4' energy: -151.624
flat angles C4'-P-C4' energy: -170.239
flat angles P-C4'-P energy: -125.326
tors. eta vs tors. theta energy: -235.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -2506.343522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.343522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.343522 (E_RNA)
where:
Base-Base interactions energy: -1726.083
where: short stacking energy: -708.477
Base-Backbone interact. energy: 1.081
local terms energy: -781.342257
where:
bonds (distance) C4'-P energy: -135.469
bonds (distance) P-C4' energy: -173.428
flat angles C4'-P-C4' energy: -153.067
flat angles P-C4'-P energy: -107.820
tors. eta vs tors. theta energy: -211.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -2379.306401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2379.306401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2379.306401 (E_RNA)
where:
Base-Base interactions energy: -1630.061
where: short stacking energy: -674.379
Base-Backbone interact. energy: -2.990
local terms energy: -746.255526
where:
bonds (distance) C4'-P energy: -142.123
bonds (distance) P-C4' energy: -140.438
flat angles C4'-P-C4' energy: -167.448
flat angles P-C4'-P energy: -99.450
tors. eta vs tors. theta energy: -196.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -2222.507772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2222.507772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2222.507772 (E_RNA)
where:
Base-Base interactions energy: -1521.622
where: short stacking energy: -614.427
Base-Backbone interact. energy: 1.573
local terms energy: -702.458968
where:
bonds (distance) C4'-P energy: -133.099
bonds (distance) P-C4' energy: -149.904
flat angles C4'-P-C4' energy: -145.379
flat angles P-C4'-P energy: -97.994
tors. eta vs tors. theta energy: -176.083
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: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -2021.928844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.928844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.928844 (E_RNA)
where:
Base-Base interactions energy: -1320.152
where: short stacking energy: -598.780
Base-Backbone interact. energy: -1.617
local terms energy: -700.159516
where:
bonds (distance) C4'-P energy: -143.341
bonds (distance) P-C4' energy: -163.688
flat angles C4'-P-C4' energy: -143.981
flat angles P-C4'-P energy: -83.299
tors. eta vs tors. theta energy: -165.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1719.666213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.666213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.666213 (E_RNA)
where:
Base-Base interactions energy: -1120.955
where: short stacking energy: -472.855
Base-Backbone interact. energy: 2.229
local terms energy: -600.939731
where:
bonds (distance) C4'-P energy: -123.604
bonds (distance) P-C4' energy: -146.946
flat angles C4'-P-C4' energy: -133.064
flat angles P-C4'-P energy: -81.826
tors. eta vs tors. theta energy: -115.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1654.256853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.256853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.256853 (E_RNA)
where:
Base-Base interactions energy: -1067.841
where: short stacking energy: -459.706
Base-Backbone interact. energy: 1.853
local terms energy: -588.269006
where:
bonds (distance) C4'-P energy: -115.369
bonds (distance) P-C4' energy: -139.707
flat angles C4'-P-C4' energy: -139.629
flat angles P-C4'-P energy: -76.310
tors. eta vs tors. theta energy: -117.254
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: 7
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1301.527264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.527264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.527264 (E_RNA)
where:
Base-Base interactions energy: -819.939
where: short stacking energy: -344.948
Base-Backbone interact. energy: -3.282
local terms energy: -478.306470
where:
bonds (distance) C4'-P energy: -117.662
bonds (distance) P-C4' energy: -118.150
flat angles C4'-P-C4' energy: -103.844
flat angles P-C4'-P energy: -88.812
tors. eta vs tors. theta energy: -49.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -827.382574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.382574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.382574 (E_RNA)
where:
Base-Base interactions energy: -424.569
where: short stacking energy: -236.520
Base-Backbone interact. energy: -1.216
local terms energy: -401.598335
where:
bonds (distance) C4'-P energy: -100.321
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -117.291
flat angles P-C4'-P energy: -72.204
tors. eta vs tors. theta energy: -5.053
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: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -632.820720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.820720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.820720 (E_RNA)
where:
Base-Base interactions energy: -243.000
where: short stacking energy: -159.570
Base-Backbone interact. energy: 5.012
local terms energy: -394.833114
where:
bonds (distance) C4'-P energy: -120.004
bonds (distance) P-C4' energy: -133.456
flat angles C4'-P-C4' energy: -111.777
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: 13.272
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: 2
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2649.512822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.512822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.512822 (E_RNA)
where:
Base-Base interactions energy: -1824.977
where: short stacking energy: -737.183
Base-Backbone interact. energy: -3.424
local terms energy: -821.111673
where:
bonds (distance) C4'-P energy: -157.992
bonds (distance) P-C4' energy: -157.574
flat angles C4'-P-C4' energy: -167.768
flat angles P-C4'-P energy: -113.423
tors. eta vs tors. theta energy: -224.355
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: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -2498.668504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.668504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.668504 (E_RNA)
where:
Base-Base interactions energy: -1708.407
where: short stacking energy: -722.310
Base-Backbone interact. energy: 0.944
local terms energy: -791.205035
where:
bonds (distance) C4'-P energy: -142.024
bonds (distance) P-C4' energy: -154.848
flat angles C4'-P-C4' energy: -175.801
flat angles P-C4'-P energy: -107.318
tors. eta vs tors. theta energy: -211.213
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: 220
Temperature: 1.000000
Total energy: -2369.130754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.130754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.130754 (E_RNA)
where:
Base-Base interactions energy: -1607.427
where: short stacking energy: -685.117
Base-Backbone interact. energy: -3.913
local terms energy: -757.790352
where:
bonds (distance) C4'-P energy: -132.917
bonds (distance) P-C4' energy: -145.039
flat angles C4'-P-C4' energy: -165.566
flat angles P-C4'-P energy: -111.736
tors. eta vs tors. theta energy: -202.532
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: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -2264.945577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2264.945577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2264.945577 (E_RNA)
where:
Base-Base interactions energy: -1536.356
where: short stacking energy: -620.049
Base-Backbone interact. energy: -3.389
local terms energy: -725.200316
where:
bonds (distance) C4'-P energy: -141.222
bonds (distance) P-C4' energy: -138.594
flat angles C4'-P-C4' energy: -162.913
flat angles P-C4'-P energy: -100.042
tors. eta vs tors. theta energy: -182.430
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: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -2111.677096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.677096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.677096 (E_RNA)
where:
Base-Base interactions energy: -1440.170
where: short stacking energy: -635.512
Base-Backbone interact. energy: 4.228
local terms energy: -675.734401
where:
bonds (distance) C4'-P energy: -127.424
bonds (distance) P-C4' energy: -129.528
flat angles C4'-P-C4' energy: -155.211
flat angles P-C4'-P energy: -88.917
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: 6, replica: 10
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1728.963000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.963000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.963000 (E_RNA)
where:
Base-Base interactions energy: -1128.639
where: short stacking energy: -506.004
Base-Backbone interact. energy: 1.001
local terms energy: -601.324510
where:
bonds (distance) C4'-P energy: -139.519
bonds (distance) P-C4' energy: -122.462
flat angles C4'-P-C4' energy: -124.980
flat angles P-C4'-P energy: -82.207
tors. eta vs tors. theta energy: -132.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1686.333040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.333040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.333040 (E_RNA)
where:
Base-Base interactions energy: -1065.055
where: short stacking energy: -482.087
Base-Backbone interact. energy: -0.789
local terms energy: -620.488980
where:
bonds (distance) C4'-P energy: -115.023
bonds (distance) P-C4' energy: -138.559
flat angles C4'-P-C4' energy: -142.271
flat angles P-C4'-P energy: -94.130
tors. eta vs tors. theta energy: -130.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1282.076945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.076945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.076945 (E_RNA)
where:
Base-Base interactions energy: -743.343
where: short stacking energy: -349.438
Base-Backbone interact. energy: 0.521
local terms energy: -539.254869
where:
bonds (distance) C4'-P energy: -115.434
bonds (distance) P-C4' energy: -130.956
flat angles C4'-P-C4' energy: -125.694
flat angles P-C4'-P energy: -92.932
tors. eta vs tors. theta energy: -74.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -851.158410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.158410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.158410 (E_RNA)
where:
Base-Base interactions energy: -456.630
where: short stacking energy: -244.268
Base-Backbone interact. energy: -0.187
local terms energy: -394.341378
where:
bonds (distance) C4'-P energy: -115.467
bonds (distance) P-C4' energy: -128.992
flat angles C4'-P-C4' energy: -67.493
flat angles P-C4'-P energy: -75.705
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -548.354580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.354580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.354580 (E_RNA)
where:
Base-Base interactions energy: -187.941
where: short stacking energy: -151.966
Base-Backbone interact. energy: 0.518
local terms energy: -360.931249
where:
bonds (distance) C4'-P energy: -125.790
bonds (distance) P-C4' energy: -126.992
flat angles C4'-P-C4' energy: -80.414
flat angles P-C4'-P energy: -57.076
tors. eta vs tors. theta energy: 29.341
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: 1, replica: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2689.543863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.543863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.543863 (E_RNA)
where:
Base-Base interactions energy: -1877.625
where: short stacking energy: -784.427
Base-Backbone interact. energy: -6.731
local terms energy: -805.188164
where:
bonds (distance) C4'-P energy: -140.496
bonds (distance) P-C4' energy: -143.632
flat angles C4'-P-C4' energy: -173.316
flat angles P-C4'-P energy: -109.558
tors. eta vs tors. theta energy: -238.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -2509.544934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.544934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.544934 (E_RNA)
where:
Base-Base interactions energy: -1727.714
where: short stacking energy: -725.527
Base-Backbone interact. energy: -1.510
local terms energy: -780.321655
where:
bonds (distance) C4'-P energy: -142.787
bonds (distance) P-C4' energy: -154.453
flat angles C4'-P-C4' energy: -159.416
flat angles P-C4'-P energy: -108.758
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: 3, replica: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -2366.276866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.276866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.276866 (E_RNA)
where:
Base-Base interactions energy: -1615.248
where: short stacking energy: -668.046
Base-Backbone interact. energy: -1.297
local terms energy: -749.732065
where:
bonds (distance) C4'-P energy: -141.952
bonds (distance) P-C4' energy: -148.509
flat angles C4'-P-C4' energy: -160.876
flat angles P-C4'-P energy: -98.497
tors. eta vs tors. theta energy: -199.898
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: 221
Temperature: 1.050000
Total energy: -2265.962323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.962323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.962323 (E_RNA)
where:
Base-Base interactions energy: -1558.732
where: short stacking energy: -629.416
Base-Backbone interact. energy: -3.298
local terms energy: -703.932760
where:
bonds (distance) C4'-P energy: -119.871
bonds (distance) P-C4' energy: -126.296
flat angles C4'-P-C4' energy: -168.963
flat angles P-C4'-P energy: -110.373
tors. eta vs tors. theta energy: -178.430
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: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -2053.093003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.093003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.093003 (E_RNA)
where:
Base-Base interactions energy: -1384.007
where: short stacking energy: -611.736
Base-Backbone interact. energy: -1.045
local terms energy: -668.040671
where:
bonds (distance) C4'-P energy: -110.134
bonds (distance) P-C4' energy: -139.152
flat angles C4'-P-C4' energy: -147.087
flat angles P-C4'-P energy: -97.876
tors. eta vs tors. theta energy: -173.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1734.310359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.310359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.310359 (E_RNA)
where:
Base-Base interactions energy: -1127.033
where: short stacking energy: -479.139
Base-Backbone interact. energy: -1.924
local terms energy: -605.353430
where:
bonds (distance) C4'-P energy: -123.167
bonds (distance) P-C4' energy: -125.431
flat angles C4'-P-C4' energy: -154.118
flat angles P-C4'-P energy: -95.720
tors. eta vs tors. theta energy: -106.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1605.281158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.281158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.281158 (E_RNA)
where:
Base-Base interactions energy: -1042.254
where: short stacking energy: -441.893
Base-Backbone interact. energy: -0.547
local terms energy: -562.479571
where:
bonds (distance) C4'-P energy: -125.222
bonds (distance) P-C4' energy: -123.833
flat angles C4'-P-C4' energy: -141.271
flat angles P-C4'-P energy: -84.404
tors. eta vs tors. theta energy: -87.749
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: 7
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1224.002729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.002729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.002729 (E_RNA)
where:
Base-Base interactions energy: -707.216
where: short stacking energy: -337.452
Base-Backbone interact. energy: -0.680
local terms energy: -516.106855
where:
bonds (distance) C4'-P energy: -116.651
bonds (distance) P-C4' energy: -144.924
flat angles C4'-P-C4' energy: -138.149
flat angles P-C4'-P energy: -73.685
tors. eta vs tors. theta energy: -42.699
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: 221
Temperature: 1.300000
Total energy: -834.007939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.007939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.007939 (E_RNA)
where:
Base-Base interactions energy: -384.955
where: short stacking energy: -230.265
Base-Backbone interact. energy: -4.579
local terms energy: -444.474277
where:
bonds (distance) C4'-P energy: -133.372
bonds (distance) P-C4' energy: -129.126
flat angles C4'-P-C4' energy: -99.296
flat angles P-C4'-P energy: -66.704
tors. eta vs tors. theta energy: -15.977
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: 1
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -562.211497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.211497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.211497 (E_RNA)
where:
Base-Base interactions energy: -172.684
where: short stacking energy: -152.271
Base-Backbone interact. energy: 1.250
local terms energy: -390.777050
where:
bonds (distance) C4'-P energy: -137.192
bonds (distance) P-C4' energy: -103.790
flat angles C4'-P-C4' energy: -105.642
flat angles P-C4'-P energy: -71.896
tors. eta vs tors. theta energy: 27.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -2657.150680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.150680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.150680 (E_RNA)
where:
Base-Base interactions energy: -1832.456
where: short stacking energy: -730.539
Base-Backbone interact. energy: -0.677
local terms energy: -824.018233
where:
bonds (distance) C4'-P energy: -162.094
bonds (distance) P-C4' energy: -158.305
flat angles C4'-P-C4' energy: -165.973
flat angles P-C4'-P energy: -104.307
tors. eta vs tors. theta energy: -233.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -2524.816015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.816015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.816015 (E_RNA)
where:
Base-Base interactions energy: -1726.430
where: short stacking energy: -693.451
Base-Backbone interact. energy: -4.530
local terms energy: -793.856186
where:
bonds (distance) C4'-P energy: -158.100
bonds (distance) P-C4' energy: -153.399
flat angles C4'-P-C4' energy: -163.714
flat angles P-C4'-P energy: -105.878
tors. eta vs tors. theta energy: -212.764
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: 3, replica: 3
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -2401.669758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.669758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.669758 (E_RNA)
where:
Base-Base interactions energy: -1643.489
where: short stacking energy: -686.883
Base-Backbone interact. energy: -0.756
local terms energy: -757.424825
where:
bonds (distance) C4'-P energy: -138.630
bonds (distance) P-C4' energy: -151.509
flat angles C4'-P-C4' energy: -161.997
flat angles P-C4'-P energy: -108.076
tors. eta vs tors. theta energy: -197.213
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: 222
Temperature: 1.050000
Total energy: -2207.699695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2207.699695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2207.699695 (E_RNA)
where:
Base-Base interactions energy: -1526.252
where: short stacking energy: -609.731
Base-Backbone interact. energy: -1.427
local terms energy: -680.019892
where:
bonds (distance) C4'-P energy: -146.842
bonds (distance) P-C4' energy: -131.789
flat angles C4'-P-C4' energy: -143.907
flat angles P-C4'-P energy: -99.958
tors. eta vs tors. theta energy: -157.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -2041.980181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.980181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.980181 (E_RNA)
where:
Base-Base interactions energy: -1358.048
where: short stacking energy: -590.299
Base-Backbone interact. energy: -1.966
local terms energy: -681.965793
where:
bonds (distance) C4'-P energy: -147.129
bonds (distance) P-C4' energy: -130.665
flat angles C4'-P-C4' energy: -154.663
flat angles P-C4'-P energy: -83.509
tors. eta vs tors. theta energy: -166.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1701.602241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.602241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.602241 (E_RNA)
where:
Base-Base interactions energy: -1115.933
where: short stacking energy: -492.663
Base-Backbone interact. energy: 0.496
local terms energy: -586.165119
where:
bonds (distance) C4'-P energy: -137.365
bonds (distance) P-C4' energy: -125.531
flat angles C4'-P-C4' energy: -137.118
flat angles P-C4'-P energy: -82.176
tors. eta vs tors. theta energy: -103.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1653.069890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.069890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.069890 (E_RNA)
where:
Base-Base interactions energy: -1067.309
where: short stacking energy: -487.386
Base-Backbone interact. energy: -0.052
local terms energy: -585.708589
where:
bonds (distance) C4'-P energy: -115.372
bonds (distance) P-C4' energy: -118.820
flat angles C4'-P-C4' energy: -140.604
flat angles P-C4'-P energy: -90.823
tors. eta vs tors. theta energy: -120.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1211.651598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.651598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.651598 (E_RNA)
where:
Base-Base interactions energy: -734.597
where: short stacking energy: -366.267
Base-Backbone interact. energy: -2.727
local terms energy: -474.326914
where:
bonds (distance) C4'-P energy: -124.161
bonds (distance) P-C4' energy: -115.918
flat angles C4'-P-C4' energy: -121.196
flat angles P-C4'-P energy: -68.219
tors. eta vs tors. theta energy: -44.832
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: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -913.049795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.049795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.049795 (E_RNA)
where:
Base-Base interactions energy: -460.610
where: short stacking energy: -275.036
Base-Backbone interact. energy: 2.302
local terms energy: -454.741680
where:
bonds (distance) C4'-P energy: -115.032
bonds (distance) P-C4' energy: -128.428
flat angles C4'-P-C4' energy: -105.793
flat angles P-C4'-P energy: -62.001
tors. eta vs tors. theta energy: -43.487
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: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -542.338262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.338262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.338262 (E_RNA)
where:
Base-Base interactions energy: -196.506
where: short stacking energy: -147.521
Base-Backbone interact. energy: 5.618
local terms energy: -351.449868
where:
bonds (distance) C4'-P energy: -113.960
bonds (distance) P-C4' energy: -138.968
flat angles C4'-P-C4' energy: -98.946
flat angles P-C4'-P energy: -41.670
tors. eta vs tors. theta energy: 42.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2670.815190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.815190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.815190 (E_RNA)
where:
Base-Base interactions energy: -1848.124
where: short stacking energy: -778.381
Base-Backbone interact. energy: -8.533
local terms energy: -814.159156
where:
bonds (distance) C4'-P energy: -146.371
bonds (distance) P-C4' energy: -155.768
flat angles C4'-P-C4' energy: -169.613
flat angles P-C4'-P energy: -105.426
tors. eta vs tors. theta energy: -236.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2551.200829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.200829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.200829 (E_RNA)
where:
Base-Base interactions energy: -1764.837
where: short stacking energy: -711.980
Base-Backbone interact. energy: -2.885
local terms energy: -783.478768
where:
bonds (distance) C4'-P energy: -145.371
bonds (distance) P-C4' energy: -146.477
flat angles C4'-P-C4' energy: -168.350
flat angles P-C4'-P energy: -104.799
tors. eta vs tors. theta energy: -218.481
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: 3, replica: 3
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -2371.885091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2371.885091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2371.885091 (E_RNA)
where:
Base-Base interactions energy: -1599.914
where: short stacking energy: -678.781
Base-Backbone interact. energy: -1.212
local terms energy: -770.759024
where:
bonds (distance) C4'-P energy: -129.542
bonds (distance) P-C4' energy: -164.613
flat angles C4'-P-C4' energy: -160.289
flat angles P-C4'-P energy: -125.308
tors. eta vs tors. theta energy: -191.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -2273.665208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2273.665208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2273.665208 (E_RNA)
where:
Base-Base interactions energy: -1572.904
where: short stacking energy: -607.926
Base-Backbone interact. energy: 2.590
local terms energy: -703.351466
where:
bonds (distance) C4'-P energy: -117.969
bonds (distance) P-C4' energy: -152.112
flat angles C4'-P-C4' energy: -163.812
flat angles P-C4'-P energy: -101.863
tors. eta vs tors. theta energy: -167.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -2086.588168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.588168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.588168 (E_RNA)
where:
Base-Base interactions energy: -1386.286
where: short stacking energy: -626.679
Base-Backbone interact. energy: 1.561
local terms energy: -701.863533
where:
bonds (distance) C4'-P energy: -140.073
bonds (distance) P-C4' energy: -126.937
flat angles C4'-P-C4' energy: -153.060
flat angles P-C4'-P energy: -96.609
tors. eta vs tors. theta energy: -185.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1734.496826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.496826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.496826 (E_RNA)
where:
Base-Base interactions energy: -1104.070
where: short stacking energy: -491.605
Base-Backbone interact. energy: -2.422
local terms energy: -628.004491
where:
bonds (distance) C4'-P energy: -124.621
bonds (distance) P-C4' energy: -151.774
flat angles C4'-P-C4' energy: -139.144
flat angles P-C4'-P energy: -99.028
tors. eta vs tors. theta energy: -113.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1627.379632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.379632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.379632 (E_RNA)
where:
Base-Base interactions energy: -1060.786
where: short stacking energy: -502.911
Base-Backbone interact. energy: -2.103
local terms energy: -564.490189
where:
bonds (distance) C4'-P energy: -112.707
bonds (distance) P-C4' energy: -130.189
flat angles C4'-P-C4' energy: -128.393
flat angles P-C4'-P energy: -79.301
tors. eta vs tors. theta energy: -113.901
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: 8, replica: 7
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1211.543762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.543762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.543762 (E_RNA)
where:
Base-Base interactions energy: -713.199
where: short stacking energy: -330.418
Base-Backbone interact. energy: 2.754
local terms energy: -501.099424
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -138.123
flat angles P-C4'-P energy: -87.078
tors. eta vs tors. theta energy: -43.386
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: 223
Temperature: 1.300000
Total energy: -909.490388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.490388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.490388 (E_RNA)
where:
Base-Base interactions energy: -483.852
where: short stacking energy: -255.221
Base-Backbone interact. energy: -0.186
local terms energy: -425.452496
where:
bonds (distance) C4'-P energy: -126.865
bonds (distance) P-C4' energy: -125.508
flat angles C4'-P-C4' energy: -101.443
flat angles P-C4'-P energy: -70.413
tors. eta vs tors. theta energy: -1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -556.147899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.147899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.147899 (E_RNA)
where:
Base-Base interactions energy: -182.036
where: short stacking energy: -129.872
Base-Backbone interact. energy: -3.130
local terms energy: -370.981901
where:
bonds (distance) C4'-P energy: -124.336
bonds (distance) P-C4' energy: -129.225
flat angles C4'-P-C4' energy: -97.006
flat angles P-C4'-P energy: -58.055
tors. eta vs tors. theta energy: 37.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2686.636035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.636035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.636035 (E_RNA)
where:
Base-Base interactions energy: -1852.656
where: short stacking energy: -765.710
Base-Backbone interact. energy: -3.565
local terms energy: -830.415116
where:
bonds (distance) C4'-P energy: -158.531
bonds (distance) P-C4' energy: -158.186
flat angles C4'-P-C4' energy: -157.538
flat angles P-C4'-P energy: -107.754
tors. eta vs tors. theta energy: -248.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -2574.062634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.062634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.062634 (E_RNA)
where:
Base-Base interactions energy: -1785.881
where: short stacking energy: -744.292
Base-Backbone interact. energy: 4.382
local terms energy: -792.563947
where:
bonds (distance) C4'-P energy: -151.761
bonds (distance) P-C4' energy: -152.874
flat angles C4'-P-C4' energy: -153.703
flat angles P-C4'-P energy: -114.863
tors. eta vs tors. theta energy: -219.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -2397.329408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.329408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.329408 (E_RNA)
where:
Base-Base interactions energy: -1628.869
where: short stacking energy: -669.990
Base-Backbone interact. energy: -1.733
local terms energy: -766.727464
where:
bonds (distance) C4'-P energy: -145.746
bonds (distance) P-C4' energy: -160.392
flat angles C4'-P-C4' energy: -149.268
flat angles P-C4'-P energy: -108.853
tors. eta vs tors. theta energy: -202.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -2306.803982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.803982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.803982 (E_RNA)
where:
Base-Base interactions energy: -1595.757
where: short stacking energy: -654.554
Base-Backbone interact. energy: -2.686
local terms energy: -708.360975
where:
bonds (distance) C4'-P energy: -123.072
bonds (distance) P-C4' energy: -143.351
flat angles C4'-P-C4' energy: -155.780
flat angles P-C4'-P energy: -108.625
tors. eta vs tors. theta energy: -177.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -2058.068252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.068252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.068252 (E_RNA)
where:
Base-Base interactions energy: -1372.881
where: short stacking energy: -597.090
Base-Backbone interact. energy: -1.484
local terms energy: -683.703126
where:
bonds (distance) C4'-P energy: -118.353
bonds (distance) P-C4' energy: -128.696
flat angles C4'-P-C4' energy: -161.736
flat angles P-C4'-P energy: -100.348
tors. eta vs tors. theta energy: -174.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1724.029035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.029035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.029035 (E_RNA)
where:
Base-Base interactions energy: -1112.853
where: short stacking energy: -506.405
Base-Backbone interact. energy: 0.147
local terms energy: -611.323474
where:
bonds (distance) C4'-P energy: -103.465
bonds (distance) P-C4' energy: -147.052
flat angles C4'-P-C4' energy: -135.768
flat angles P-C4'-P energy: -99.102
tors. eta vs tors. theta energy: -125.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1653.717673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.717673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.717673 (E_RNA)
where:
Base-Base interactions energy: -1091.178
where: short stacking energy: -457.975
Base-Backbone interact. energy: -2.740
local terms energy: -559.800069
where:
bonds (distance) C4'-P energy: -119.465
bonds (distance) P-C4' energy: -133.407
flat angles C4'-P-C4' energy: -136.552
flat angles P-C4'-P energy: -68.555
tors. eta vs tors. theta energy: -101.821
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: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1258.360563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.360563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.360563 (E_RNA)
where:
Base-Base interactions energy: -785.903
where: short stacking energy: -398.823
Base-Backbone interact. energy: -2.440
local terms energy: -470.016872
where:
bonds (distance) C4'-P energy: -99.223
bonds (distance) P-C4' energy: -121.940
flat angles C4'-P-C4' energy: -114.036
flat angles P-C4'-P energy: -75.807
tors. eta vs tors. theta energy: -59.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -876.264022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.264022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.264022 (E_RNA)
where:
Base-Base interactions energy: -435.190
where: short stacking energy: -236.567
Base-Backbone interact. energy: 6.552
local terms energy: -447.625247
where:
bonds (distance) C4'-P energy: -118.279
bonds (distance) P-C4' energy: -119.508
flat angles C4'-P-C4' energy: -115.867
flat angles P-C4'-P energy: -84.210
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -589.106508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.106508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.106508 (E_RNA)
where:
Base-Base interactions energy: -214.475
where: short stacking energy: -164.933
Base-Backbone interact. energy: 2.697
local terms energy: -377.328743
where:
bonds (distance) C4'-P energy: -132.947
bonds (distance) P-C4' energy: -128.771
flat angles C4'-P-C4' energy: -96.023
flat angles P-C4'-P energy: -36.059
tors. eta vs tors. theta energy: 16.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2691.869619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.869619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.869619 (E_RNA)
where:
Base-Base interactions energy: -1849.009
where: short stacking energy: -783.718
Base-Backbone interact. energy: -5.914
local terms energy: -836.946931
where:
bonds (distance) C4'-P energy: -163.346
bonds (distance) P-C4' energy: -158.594
flat angles C4'-P-C4' energy: -160.885
flat angles P-C4'-P energy: -114.008
tors. eta vs tors. theta energy: -240.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -2506.113909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.113909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.113909 (E_RNA)
where:
Base-Base interactions energy: -1716.706
where: short stacking energy: -712.537
Base-Backbone interact. energy: -7.547
local terms energy: -781.861013
where:
bonds (distance) C4'-P energy: -151.415
bonds (distance) P-C4' energy: -133.667
flat angles C4'-P-C4' energy: -168.936
flat angles P-C4'-P energy: -115.804
tors. eta vs tors. theta energy: -212.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -2384.402356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.402356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.402356 (E_RNA)
where:
Base-Base interactions energy: -1612.383
where: short stacking energy: -672.382
Base-Backbone interact. energy: -2.219
local terms energy: -769.800816
where:
bonds (distance) C4'-P energy: -155.360
bonds (distance) P-C4' energy: -142.728
flat angles C4'-P-C4' energy: -160.873
flat angles P-C4'-P energy: -118.215
tors. eta vs tors. theta energy: -192.624
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: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -2331.428885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.428885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.428885 (E_RNA)
where:
Base-Base interactions energy: -1604.708
where: short stacking energy: -646.464
Base-Backbone interact. energy: -2.529
local terms energy: -724.191796
where:
bonds (distance) C4'-P energy: -124.395
bonds (distance) P-C4' energy: -128.412
flat angles C4'-P-C4' energy: -171.333
flat angles P-C4'-P energy: -106.805
tors. eta vs tors. theta energy: -193.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -2010.257928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.257928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.257928 (E_RNA)
where:
Base-Base interactions energy: -1307.266
where: short stacking energy: -549.909
Base-Backbone interact. energy: 0.404
local terms energy: -703.395455
where:
bonds (distance) C4'-P energy: -136.365
bonds (distance) P-C4' energy: -151.577
flat angles C4'-P-C4' energy: -160.022
flat angles P-C4'-P energy: -111.493
tors. eta vs tors. theta energy: -143.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1698.678863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.678863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.678863 (E_RNA)
where:
Base-Base interactions energy: -1093.528
where: short stacking energy: -473.954
Base-Backbone interact. energy: 1.607
local terms energy: -606.758112
where:
bonds (distance) C4'-P energy: -131.209
bonds (distance) P-C4' energy: -128.764
flat angles C4'-P-C4' energy: -129.221
flat angles P-C4'-P energy: -94.766
tors. eta vs tors. theta energy: -122.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1591.043423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.043423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.043423 (E_RNA)
where:
Base-Base interactions energy: -994.833
where: short stacking energy: -461.357
Base-Backbone interact. energy: 8.327
local terms energy: -604.538102
where:
bonds (distance) C4'-P energy: -120.092
bonds (distance) P-C4' energy: -136.920
flat angles C4'-P-C4' energy: -129.450
flat angles P-C4'-P energy: -90.654
tors. eta vs tors. theta energy: -127.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1210.851796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.851796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.851796 (E_RNA)
where:
Base-Base interactions energy: -734.086
where: short stacking energy: -364.024
Base-Backbone interact. energy: 1.769
local terms energy: -478.534238
where:
bonds (distance) C4'-P energy: -111.189
bonds (distance) P-C4' energy: -147.331
flat angles C4'-P-C4' energy: -102.346
flat angles P-C4'-P energy: -76.409
tors. eta vs tors. theta energy: -41.259
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: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -903.940054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.940054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.940054 (E_RNA)
where:
Base-Base interactions energy: -496.939
where: short stacking energy: -275.847
Base-Backbone interact. energy: 4.202
local terms energy: -411.203225
where:
bonds (distance) C4'-P energy: -111.401
bonds (distance) P-C4' energy: -121.435
flat angles C4'-P-C4' energy: -115.646
flat angles P-C4'-P energy: -41.938
tors. eta vs tors. theta energy: -20.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -562.904455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.904455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.904455 (E_RNA)
where:
Base-Base interactions energy: -197.360
where: short stacking energy: -181.029
Base-Backbone interact. energy: -3.087
local terms energy: -362.457412
where:
bonds (distance) C4'-P energy: -101.715
bonds (distance) P-C4' energy: -133.437
flat angles C4'-P-C4' energy: -98.027
flat angles P-C4'-P energy: -49.704
tors. eta vs tors. theta energy: 20.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2701.806211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.806211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.806211 (E_RNA)
where:
Base-Base interactions energy: -1885.364
where: short stacking energy: -778.150
Base-Backbone interact. energy: -5.365
local terms energy: -811.076572
where:
bonds (distance) C4'-P energy: -149.838
bonds (distance) P-C4' energy: -150.344
flat angles C4'-P-C4' energy: -166.058
flat angles P-C4'-P energy: -114.657
tors. eta vs tors. theta energy: -230.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -2556.697218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.697218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.697218 (E_RNA)
where:
Base-Base interactions energy: -1769.117
where: short stacking energy: -729.130
Base-Backbone interact. energy: -4.135
local terms energy: -783.444682
where:
bonds (distance) C4'-P energy: -136.485
bonds (distance) P-C4' energy: -152.159
flat angles C4'-P-C4' energy: -171.777
flat angles P-C4'-P energy: -107.989
tors. eta vs tors. theta energy: -215.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -2364.838552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.838552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.838552 (E_RNA)
where:
Base-Base interactions energy: -1611.039
where: short stacking energy: -649.563
Base-Backbone interact. energy: -1.890
local terms energy: -751.908781
where:
bonds (distance) C4'-P energy: -130.941
bonds (distance) P-C4' energy: -154.328
flat angles C4'-P-C4' energy: -166.810
flat angles P-C4'-P energy: -99.459
tors. eta vs tors. theta energy: -200.371
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: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -2300.161089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.161089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.161089 (E_RNA)
where:
Base-Base interactions energy: -1585.268
where: short stacking energy: -666.073
Base-Backbone interact. energy: 2.078
local terms energy: -716.971126
where:
bonds (distance) C4'-P energy: -132.899
bonds (distance) P-C4' energy: -131.080
flat angles C4'-P-C4' energy: -157.328
flat angles P-C4'-P energy: -97.078
tors. eta vs tors. theta energy: -198.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -2043.150166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.150166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.150166 (E_RNA)
where:
Base-Base interactions energy: -1365.795
where: short stacking energy: -595.455
Base-Backbone interact. energy: -0.074
local terms energy: -677.281147
where:
bonds (distance) C4'-P energy: -120.137
bonds (distance) P-C4' energy: -150.798
flat angles C4'-P-C4' energy: -152.907
flat angles P-C4'-P energy: -90.064
tors. eta vs tors. theta energy: -163.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1719.685851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.685851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.685851 (E_RNA)
where:
Base-Base interactions energy: -1150.206
where: short stacking energy: -512.092
Base-Backbone interact. energy: 4.061
local terms energy: -573.540897
where:
bonds (distance) C4'-P energy: -127.368
bonds (distance) P-C4' energy: -135.564
flat angles C4'-P-C4' energy: -133.679
flat angles P-C4'-P energy: -73.793
tors. eta vs tors. theta energy: -103.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1586.657691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.657691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.657691 (E_RNA)
where:
Base-Base interactions energy: -1029.976
where: short stacking energy: -439.330
Base-Backbone interact. energy: 6.283
local terms energy: -562.964585
where:
bonds (distance) C4'-P energy: -128.373
bonds (distance) P-C4' energy: -134.704
flat angles C4'-P-C4' energy: -140.584
flat angles P-C4'-P energy: -55.773
tors. eta vs tors. theta energy: -103.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1235.744406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.744406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.744406 (E_RNA)
where:
Base-Base interactions energy: -750.042
where: short stacking energy: -355.086
Base-Backbone interact. energy: 2.224
local terms energy: -487.926117
where:
bonds (distance) C4'-P energy: -107.842
bonds (distance) P-C4' energy: -113.840
flat angles C4'-P-C4' energy: -117.527
flat angles P-C4'-P energy: -100.058
tors. eta vs tors. theta energy: -48.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -894.046206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.046206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.046206 (E_RNA)
where:
Base-Base interactions energy: -439.935
where: short stacking energy: -213.595
Base-Backbone interact. energy: -2.701
local terms energy: -451.410129
where:
bonds (distance) C4'-P energy: -121.872
bonds (distance) P-C4' energy: -130.660
flat angles C4'-P-C4' energy: -115.955
flat angles P-C4'-P energy: -81.066
tors. eta vs tors. theta energy: -1.857
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: 1
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -561.240932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.240932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.240932 (E_RNA)
where:
Base-Base interactions energy: -196.786
where: short stacking energy: -149.506
Base-Backbone interact. energy: -1.703
local terms energy: -362.751341
where:
bonds (distance) C4'-P energy: -100.538
bonds (distance) P-C4' energy: -139.657
flat angles C4'-P-C4' energy: -73.923
flat angles P-C4'-P energy: -74.870
tors. eta vs tors. theta energy: 26.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2716.631994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.631994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.631994 (E_RNA)
where:
Base-Base interactions energy: -1903.613
where: short stacking energy: -759.542
Base-Backbone interact. energy: -5.872
local terms energy: -807.147436
where:
bonds (distance) C4'-P energy: -154.726
bonds (distance) P-C4' energy: -158.212
flat angles C4'-P-C4' energy: -157.709
flat angles P-C4'-P energy: -108.804
tors. eta vs tors. theta energy: -227.697
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: 8
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -2535.109031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.109031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.109031 (E_RNA)
where:
Base-Base interactions energy: -1775.056
where: short stacking energy: -719.316
Base-Backbone interact. energy: -3.556
local terms energy: -756.496748
where:
bonds (distance) C4'-P energy: -143.129
bonds (distance) P-C4' energy: -126.718
flat angles C4'-P-C4' energy: -162.213
flat angles P-C4'-P energy: -110.675
tors. eta vs tors. theta energy: -213.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -2317.640244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.640244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.640244 (E_RNA)
where:
Base-Base interactions energy: -1575.713
where: short stacking energy: -664.632
Base-Backbone interact. energy: -2.386
local terms energy: -739.541549
where:
bonds (distance) C4'-P energy: -145.323
bonds (distance) P-C4' energy: -129.666
flat angles C4'-P-C4' energy: -170.267
flat angles P-C4'-P energy: -95.574
tors. eta vs tors. theta energy: -198.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -2285.904791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.904791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.904791 (E_RNA)
where:
Base-Base interactions energy: -1552.740
where: short stacking energy: -651.704
Base-Backbone interact. energy: -2.140
local terms energy: -731.024199
where:
bonds (distance) C4'-P energy: -154.414
bonds (distance) P-C4' energy: -127.149
flat angles C4'-P-C4' energy: -156.641
flat angles P-C4'-P energy: -102.490
tors. eta vs tors. theta energy: -190.330
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: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -2039.197996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.197996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.197996 (E_RNA)
where:
Base-Base interactions energy: -1344.672
where: short stacking energy: -573.319
Base-Backbone interact. energy: 3.164
local terms energy: -697.690679
where:
bonds (distance) C4'-P energy: -122.309
bonds (distance) P-C4' energy: -140.848
flat angles C4'-P-C4' energy: -153.177
flat angles P-C4'-P energy: -109.178
tors. eta vs tors. theta energy: -172.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1741.392504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.392504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.392504 (E_RNA)
where:
Base-Base interactions energy: -1133.424
where: short stacking energy: -511.169
Base-Backbone interact. energy: -2.799
local terms energy: -605.169515
where:
bonds (distance) C4'-P energy: -121.393
bonds (distance) P-C4' energy: -133.898
flat angles C4'-P-C4' energy: -145.474
flat angles P-C4'-P energy: -72.734
tors. eta vs tors. theta energy: -131.671
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: 5
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1645.857003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.857003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.857003 (E_RNA)
where:
Base-Base interactions energy: -1046.926
where: short stacking energy: -476.467
Base-Backbone interact. energy: -0.908
local terms energy: -598.023377
where:
bonds (distance) C4'-P energy: -129.988
bonds (distance) P-C4' energy: -139.483
flat angles C4'-P-C4' energy: -149.973
flat angles P-C4'-P energy: -70.896
tors. eta vs tors. theta energy: -107.684
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: 8, replica: 7
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1226.892511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.892511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.892511 (E_RNA)
where:
Base-Base interactions energy: -742.155
where: short stacking energy: -357.516
Base-Backbone interact. energy: 5.095
local terms energy: -489.831699
where:
bonds (distance) C4'-P energy: -124.684
bonds (distance) P-C4' energy: -119.763
flat angles C4'-P-C4' energy: -122.171
flat angles P-C4'-P energy: -62.245
tors. eta vs tors. theta energy: -60.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -871.656865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.656865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.656865 (E_RNA)
where:
Base-Base interactions energy: -472.300
where: short stacking energy: -254.099
Base-Backbone interact. energy: 5.128
local terms energy: -404.485046
where:
bonds (distance) C4'-P energy: -117.992
bonds (distance) P-C4' energy: -117.705
flat angles C4'-P-C4' energy: -105.048
flat angles P-C4'-P energy: -58.139
tors. eta vs tors. theta energy: -5.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -562.610914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.610914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.610914 (E_RNA)
where:
Base-Base interactions energy: -192.694
where: short stacking energy: -118.656
Base-Backbone interact. energy: 4.610
local terms energy: -374.526530
where:
bonds (distance) C4'-P energy: -130.823
bonds (distance) P-C4' energy: -110.991
flat angles C4'-P-C4' energy: -98.775
flat angles P-C4'-P energy: -58.284
tors. eta vs tors. theta energy: 24.345
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: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2685.566474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.566474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.566474 (E_RNA)
where:
Base-Base interactions energy: -1851.437
where: short stacking energy: -758.069
Base-Backbone interact. energy: -3.983
local terms energy: -830.146706
where:
bonds (distance) C4'-P energy: -139.809
bonds (distance) P-C4' energy: -157.874
flat angles C4'-P-C4' energy: -171.967
flat angles P-C4'-P energy: -118.979
tors. eta vs tors. theta energy: -241.518
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: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -2535.960858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.960858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.960858 (E_RNA)
where:
Base-Base interactions energy: -1755.722
where: short stacking energy: -709.639
Base-Backbone interact. energy: -1.410
local terms energy: -778.829283
where:
bonds (distance) C4'-P energy: -140.760
bonds (distance) P-C4' energy: -137.338
flat angles C4'-P-C4' energy: -161.363
flat angles P-C4'-P energy: -115.583
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: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -2349.161384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2349.161384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2349.161384 (E_RNA)
where:
Base-Base interactions energy: -1614.525
where: short stacking energy: -655.739
Base-Backbone interact. energy: 1.945
local terms energy: -736.581612
where:
bonds (distance) C4'-P energy: -143.318
bonds (distance) P-C4' energy: -134.420
flat angles C4'-P-C4' energy: -163.030
flat angles P-C4'-P energy: -115.931
tors. eta vs tors. theta energy: -179.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -2310.942403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.942403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.942403 (E_RNA)
where:
Base-Base interactions energy: -1569.800
where: short stacking energy: -643.514
Base-Backbone interact. energy: -1.749
local terms energy: -739.392737
where:
bonds (distance) C4'-P energy: -141.519
bonds (distance) P-C4' energy: -144.323
flat angles C4'-P-C4' energy: -161.429
flat angles P-C4'-P energy: -104.001
tors. eta vs tors. theta energy: -188.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -2033.694998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.694998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.694998 (E_RNA)
where:
Base-Base interactions energy: -1359.691
where: short stacking energy: -587.921
Base-Backbone interact. energy: -2.791
local terms energy: -671.212871
where:
bonds (distance) C4'-P energy: -125.202
bonds (distance) P-C4' energy: -125.589
flat angles C4'-P-C4' energy: -145.901
flat angles P-C4'-P energy: -109.497
tors. eta vs tors. theta energy: -165.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1747.549240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.549240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.549240 (E_RNA)
where:
Base-Base interactions energy: -1107.829
where: short stacking energy: -476.734
Base-Backbone interact. energy: -2.702
local terms energy: -637.018231
where:
bonds (distance) C4'-P energy: -119.388
bonds (distance) P-C4' energy: -136.293
flat angles C4'-P-C4' energy: -135.522
flat angles P-C4'-P energy: -101.141
tors. eta vs tors. theta energy: -144.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1579.683797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.683797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.683797 (E_RNA)
where:
Base-Base interactions energy: -995.766
where: short stacking energy: -447.956
Base-Backbone interact. energy: 0.028
local terms energy: -583.945262
where:
bonds (distance) C4'-P energy: -109.665
bonds (distance) P-C4' energy: -134.262
flat angles C4'-P-C4' energy: -141.103
flat angles P-C4'-P energy: -84.012
tors. eta vs tors. theta energy: -114.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1270.453945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.453945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.453945 (E_RNA)
where:
Base-Base interactions energy: -764.195
where: short stacking energy: -356.321
Base-Backbone interact. energy: -2.189
local terms energy: -504.069276
where:
bonds (distance) C4'-P energy: -108.323
bonds (distance) P-C4' energy: -136.128
flat angles C4'-P-C4' energy: -114.821
flat angles P-C4'-P energy: -83.505
tors. eta vs tors. theta energy: -61.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -861.293197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.293197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.293197 (E_RNA)
where:
Base-Base interactions energy: -406.885
where: short stacking energy: -235.811
Base-Backbone interact. energy: -0.337
local terms energy: -454.070856
where:
bonds (distance) C4'-P energy: -125.058
bonds (distance) P-C4' energy: -120.566
flat angles C4'-P-C4' energy: -125.435
flat angles P-C4'-P energy: -70.717
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -598.650224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.650224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.650224 (E_RNA)
where:
Base-Base interactions energy: -211.639
where: short stacking energy: -157.435
Base-Backbone interact. energy: 1.294
local terms energy: -388.305664
where:
bonds (distance) C4'-P energy: -117.516
bonds (distance) P-C4' energy: -122.880
flat angles C4'-P-C4' energy: -95.119
flat angles P-C4'-P energy: -63.259
tors. eta vs tors. theta energy: 10.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2706.069564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.069564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.069564 (E_RNA)
where:
Base-Base interactions energy: -1863.870
where: short stacking energy: -777.037
Base-Backbone interact. energy: -6.281
local terms energy: -835.918815
where:
bonds (distance) C4'-P energy: -161.656
bonds (distance) P-C4' energy: -153.163
flat angles C4'-P-C4' energy: -170.389
flat angles P-C4'-P energy: -122.021
tors. eta vs tors. theta energy: -228.690
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: 2, replica: 8
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -2546.918939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.918939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.918939 (E_RNA)
where:
Base-Base interactions energy: -1766.057
where: short stacking energy: -715.808
Base-Backbone interact. energy: -0.552
local terms energy: -780.309747
where:
bonds (distance) C4'-P energy: -132.485
bonds (distance) P-C4' energy: -161.175
flat angles C4'-P-C4' energy: -172.724
flat angles P-C4'-P energy: -99.458
tors. eta vs tors. theta energy: -214.467
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: 229
Temperature: 1.000000
Total energy: -2344.760538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.760538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.760538 (E_RNA)
where:
Base-Base interactions energy: -1583.408
where: short stacking energy: -636.536
Base-Backbone interact. energy: -5.461
local terms energy: -755.890995
where:
bonds (distance) C4'-P energy: -139.118
bonds (distance) P-C4' energy: -145.559
flat angles C4'-P-C4' energy: -169.581
flat angles P-C4'-P energy: -101.055
tors. eta vs tors. theta energy: -200.577
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: 3
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -2336.939049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.939049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.939049 (E_RNA)
where:
Base-Base interactions energy: -1592.831
where: short stacking energy: -634.659
Base-Backbone interact. energy: -3.412
local terms energy: -740.696018
where:
bonds (distance) C4'-P energy: -125.914
bonds (distance) P-C4' energy: -156.148
flat angles C4'-P-C4' energy: -170.914
flat angles P-C4'-P energy: -97.987
tors. eta vs tors. theta energy: -189.733
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: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1947.081155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.081155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.081155 (E_RNA)
where:
Base-Base interactions energy: -1264.685
where: short stacking energy: -563.543
Base-Backbone interact. energy: 4.653
local terms energy: -687.049744
where:
bonds (distance) C4'-P energy: -137.690
bonds (distance) P-C4' energy: -132.864
flat angles C4'-P-C4' energy: -151.656
flat angles P-C4'-P energy: -107.752
tors. eta vs tors. theta energy: -157.087
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: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1780.331443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.331443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.331443 (E_RNA)
where:
Base-Base interactions energy: -1144.113
where: short stacking energy: -522.478
Base-Backbone interact. energy: 0.804
local terms energy: -637.022185
where:
bonds (distance) C4'-P energy: -138.439
bonds (distance) P-C4' energy: -140.546
flat angles C4'-P-C4' energy: -143.571
flat angles P-C4'-P energy: -91.712
tors. eta vs tors. theta energy: -122.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1722.178366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.178366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.178366 (E_RNA)
where:
Base-Base interactions energy: -1135.957
where: short stacking energy: -474.429
Base-Backbone interact. energy: -2.023
local terms energy: -584.198457
where:
bonds (distance) C4'-P energy: -119.216
bonds (distance) P-C4' energy: -128.671
flat angles C4'-P-C4' energy: -140.522
flat angles P-C4'-P energy: -70.413
tors. eta vs tors. theta energy: -125.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1259.902394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.902394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.902394 (E_RNA)
where:
Base-Base interactions energy: -739.265
where: short stacking energy: -335.880
Base-Backbone interact. energy: 0.184
local terms energy: -520.821362
where:
bonds (distance) C4'-P energy: -111.942
bonds (distance) P-C4' energy: -149.558
flat angles C4'-P-C4' energy: -112.941
flat angles P-C4'-P energy: -83.089
tors. eta vs tors. theta energy: -63.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -836.853538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.853538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.853538 (E_RNA)
where:
Base-Base interactions energy: -399.047
where: short stacking energy: -226.298
Base-Backbone interact. energy: 2.297
local terms energy: -440.103953
where:
bonds (distance) C4'-P energy: -136.432
bonds (distance) P-C4' energy: -139.832
flat angles C4'-P-C4' energy: -106.328
flat angles P-C4'-P energy: -56.749
tors. eta vs tors. theta energy: -0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -592.926432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.926432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.926432 (E_RNA)
where:
Base-Base interactions energy: -231.837
where: short stacking energy: -166.000
Base-Backbone interact. energy: 5.421
local terms energy: -366.510455
where:
bonds (distance) C4'-P energy: -120.910
bonds (distance) P-C4' energy: -120.043
flat angles C4'-P-C4' energy: -118.220
flat angles P-C4'-P energy: -31.384
tors. eta vs tors. theta energy: 24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2728.632831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.632831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.632831 (E_RNA)
where:
Base-Base interactions energy: -1875.805
where: short stacking energy: -777.012
Base-Backbone interact. energy: -2.401
local terms energy: -850.426812
where:
bonds (distance) C4'-P energy: -156.439
bonds (distance) P-C4' energy: -159.714
flat angles C4'-P-C4' energy: -178.150
flat angles P-C4'-P energy: -120.239
tors. eta vs tors. theta energy: -235.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -2560.813741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.813741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.813741 (E_RNA)
where:
Base-Base interactions energy: -1767.919
where: short stacking energy: -716.313
Base-Backbone interact. energy: -1.863
local terms energy: -791.031005
where:
bonds (distance) C4'-P energy: -141.807
bonds (distance) P-C4' energy: -154.769
flat angles C4'-P-C4' energy: -166.046
flat angles P-C4'-P energy: -106.734
tors. eta vs tors. theta energy: -221.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -2342.427992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.427992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.427992 (E_RNA)
where:
Base-Base interactions energy: -1593.256
where: short stacking energy: -656.220
Base-Backbone interact. energy: -2.879
local terms energy: -746.292988
where:
bonds (distance) C4'-P energy: -131.815
bonds (distance) P-C4' energy: -142.304
flat angles C4'-P-C4' energy: -168.293
flat angles P-C4'-P energy: -105.436
tors. eta vs tors. theta energy: -198.445
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: 4, replica: 3
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -2277.966117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.966117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.966117 (E_RNA)
where:
Base-Base interactions energy: -1538.269
where: short stacking energy: -637.780
Base-Backbone interact. energy: -0.296
local terms energy: -739.401603
where:
bonds (distance) C4'-P energy: -136.289
bonds (distance) P-C4' energy: -152.923
flat angles C4'-P-C4' energy: -159.370
flat angles P-C4'-P energy: -105.403
tors. eta vs tors. theta energy: -185.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1951.350070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.350070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.350070 (E_RNA)
where:
Base-Base interactions energy: -1267.191
where: short stacking energy: -573.649
Base-Backbone interact. energy: -1.103
local terms energy: -683.056613
where:
bonds (distance) C4'-P energy: -124.744
bonds (distance) P-C4' energy: -141.531
flat angles C4'-P-C4' energy: -154.524
flat angles P-C4'-P energy: -93.865
tors. eta vs tors. theta energy: -168.392
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: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1698.157388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.157388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.157388 (E_RNA)
where:
Base-Base interactions energy: -1089.688
where: short stacking energy: -460.797
Base-Backbone interact. energy: -2.814
local terms energy: -605.655959
where:
bonds (distance) C4'-P energy: -110.535
bonds (distance) P-C4' energy: -144.661
flat angles C4'-P-C4' energy: -132.606
flat angles P-C4'-P energy: -98.898
tors. eta vs tors. theta energy: -118.956
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: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1769.511811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.511811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.511811 (E_RNA)
where:
Base-Base interactions energy: -1157.299
where: short stacking energy: -481.864
Base-Backbone interact. energy: -0.039
local terms energy: -612.173571
where:
bonds (distance) C4'-P energy: -131.579
bonds (distance) P-C4' energy: -132.034
flat angles C4'-P-C4' energy: -128.053
flat angles P-C4'-P energy: -78.830
tors. eta vs tors. theta energy: -141.678
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: 8, replica: 7
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1269.892197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.892197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.892197 (E_RNA)
where:
Base-Base interactions energy: -788.069
where: short stacking energy: -394.002
Base-Backbone interact. energy: 7.334
local terms energy: -489.157437
where:
bonds (distance) C4'-P energy: -122.104
bonds (distance) P-C4' energy: -121.561
flat angles C4'-P-C4' energy: -117.726
flat angles P-C4'-P energy: -59.251
tors. eta vs tors. theta energy: -68.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -815.090561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.090561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.090561 (E_RNA)
where:
Base-Base interactions energy: -383.593
where: short stacking energy: -225.859
Base-Backbone interact. energy: 1.712
local terms energy: -433.209443
where:
bonds (distance) C4'-P energy: -110.213
bonds (distance) P-C4' energy: -134.191
flat angles C4'-P-C4' energy: -108.257
flat angles P-C4'-P energy: -74.006
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -624.793961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.793961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.793961 (E_RNA)
where:
Base-Base interactions energy: -215.376
where: short stacking energy: -165.289
Base-Backbone interact. energy: -3.077
local terms energy: -406.340091
where:
bonds (distance) C4'-P energy: -139.063
bonds (distance) P-C4' energy: -136.521
flat angles C4'-P-C4' energy: -85.446
flat angles P-C4'-P energy: -74.448
tors. eta vs tors. theta energy: 29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2726.057950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.057950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.057950 (E_RNA)
where:
Base-Base interactions energy: -1887.225
where: short stacking energy: -775.253
Base-Backbone interact. energy: -3.922
local terms energy: -834.911133
where:
bonds (distance) C4'-P energy: -158.739
bonds (distance) P-C4' energy: -154.766
flat angles C4'-P-C4' energy: -171.343
flat angles P-C4'-P energy: -110.577
tors. eta vs tors. theta energy: -239.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2550.921292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.921292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.921292 (E_RNA)
where:
Base-Base interactions energy: -1736.027
where: short stacking energy: -734.364
Base-Backbone interact. energy: -0.351
local terms energy: -814.543373
where:
bonds (distance) C4'-P energy: -134.123
bonds (distance) P-C4' energy: -161.549
flat angles C4'-P-C4' energy: -174.848
flat angles P-C4'-P energy: -111.519
tors. eta vs tors. theta energy: -232.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -2388.903345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.903345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.903345 (E_RNA)
where:
Base-Base interactions energy: -1618.702
where: short stacking energy: -670.278
Base-Backbone interact. energy: -4.876
local terms energy: -765.325043
where:
bonds (distance) C4'-P energy: -145.437
bonds (distance) P-C4' energy: -136.469
flat angles C4'-P-C4' energy: -176.002
flat angles P-C4'-P energy: -106.861
tors. eta vs tors. theta energy: -200.556
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: 3
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -2242.714791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.714791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.714791 (E_RNA)
where:
Base-Base interactions energy: -1572.202
where: short stacking energy: -619.059
Base-Backbone interact. energy: 1.549
local terms energy: -672.061718
where:
bonds (distance) C4'-P energy: -125.358
bonds (distance) P-C4' energy: -136.800
flat angles C4'-P-C4' energy: -157.604
flat angles P-C4'-P energy: -86.288
tors. eta vs tors. theta energy: -166.012
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: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1965.559560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.559560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.559560 (E_RNA)
where:
Base-Base interactions energy: -1304.354
where: short stacking energy: -570.236
Base-Backbone interact. energy: 0.581
local terms energy: -661.785847
where:
bonds (distance) C4'-P energy: -139.482
bonds (distance) P-C4' energy: -126.913
flat angles C4'-P-C4' energy: -142.167
flat angles P-C4'-P energy: -93.375
tors. eta vs tors. theta energy: -159.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1816.985901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.985901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.985901 (E_RNA)
where:
Base-Base interactions energy: -1196.755
where: short stacking energy: -504.934
Base-Backbone interact. energy: -5.255
local terms energy: -614.975671
where:
bonds (distance) C4'-P energy: -115.046
bonds (distance) P-C4' energy: -135.973
flat angles C4'-P-C4' energy: -150.935
flat angles P-C4'-P energy: -91.158
tors. eta vs tors. theta energy: -121.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1630.811563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.811563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.811563 (E_RNA)
where:
Base-Base interactions energy: -1067.999
where: short stacking energy: -446.774
Base-Backbone interact. energy: 3.097
local terms energy: -565.910386
where:
bonds (distance) C4'-P energy: -119.949
bonds (distance) P-C4' energy: -127.854
flat angles C4'-P-C4' energy: -136.913
flat angles P-C4'-P energy: -87.896
tors. eta vs tors. theta energy: -93.298
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: 7
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1232.749904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.749904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.749904 (E_RNA)
where:
Base-Base interactions energy: -727.040
where: short stacking energy: -349.183
Base-Backbone interact. energy: 5.430
local terms energy: -511.139383
where:
bonds (distance) C4'-P energy: -118.895
bonds (distance) P-C4' energy: -141.452
flat angles C4'-P-C4' energy: -119.736
flat angles P-C4'-P energy: -78.036
tors. eta vs tors. theta energy: -53.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -839.022414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.022414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.022414 (E_RNA)
where:
Base-Base interactions energy: -429.308
where: short stacking energy: -231.296
Base-Backbone interact. energy: -0.730
local terms energy: -408.984343
where:
bonds (distance) C4'-P energy: -132.008
bonds (distance) P-C4' energy: -118.785
flat angles C4'-P-C4' energy: -94.911
flat angles P-C4'-P energy: -58.791
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -559.212594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.212594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.212594 (E_RNA)
where:
Base-Base interactions energy: -198.754
where: short stacking energy: -171.764
Base-Backbone interact. energy: 10.004
local terms energy: -370.462705
where:
bonds (distance) C4'-P energy: -91.152
bonds (distance) P-C4' energy: -122.759
flat angles C4'-P-C4' energy: -114.059
flat angles P-C4'-P energy: -64.682
tors. eta vs tors. theta energy: 22.190
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: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2703.931088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.931088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.931088 (E_RNA)
where:
Base-Base interactions energy: -1879.333
where: short stacking energy: -790.902
Base-Backbone interact. energy: -3.911
local terms energy: -820.686955
where:
bonds (distance) C4'-P energy: -143.731
bonds (distance) P-C4' energy: -159.912
flat angles C4'-P-C4' energy: -166.528
flat angles P-C4'-P energy: -107.900
tors. eta vs tors. theta energy: -242.615
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: 8
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -2551.220609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2551.220609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2551.220609 (E_RNA)
where:
Base-Base interactions energy: -1753.503
where: short stacking energy: -723.485
Base-Backbone interact. energy: -2.297
local terms energy: -795.420720
where:
bonds (distance) C4'-P energy: -157.020
bonds (distance) P-C4' energy: -147.416
flat angles C4'-P-C4' energy: -160.779
flat angles P-C4'-P energy: -102.052
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: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -2398.278009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.278009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.278009 (E_RNA)
where:
Base-Base interactions energy: -1635.127
where: short stacking energy: -669.666
Base-Backbone interact. energy: -1.293
local terms energy: -761.857212
where:
bonds (distance) C4'-P energy: -134.520
bonds (distance) P-C4' energy: -147.020
flat angles C4'-P-C4' energy: -162.029
flat angles P-C4'-P energy: -112.640
tors. eta vs tors. theta energy: -205.648
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: 3
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -2213.973035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.973035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.973035 (E_RNA)
where:
Base-Base interactions energy: -1537.594
where: short stacking energy: -601.894
Base-Backbone interact. energy: -1.220
local terms energy: -675.159384
where:
bonds (distance) C4'-P energy: -139.204
bonds (distance) P-C4' energy: -131.373
flat angles C4'-P-C4' energy: -149.095
flat angles P-C4'-P energy: -93.701
tors. eta vs tors. theta energy: -161.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1941.531232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.531232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.531232 (E_RNA)
where:
Base-Base interactions energy: -1266.340
where: short stacking energy: -593.456
Base-Backbone interact. energy: 9.080
local terms energy: -684.270542
where:
bonds (distance) C4'-P energy: -138.400
bonds (distance) P-C4' energy: -138.108
flat angles C4'-P-C4' energy: -141.613
flat angles P-C4'-P energy: -98.255
tors. eta vs tors. theta energy: -167.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1755.931299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.931299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.931299 (E_RNA)
where:
Base-Base interactions energy: -1114.257
where: short stacking energy: -502.169
Base-Backbone interact. energy: -7.026
local terms energy: -634.648369
where:
bonds (distance) C4'-P energy: -138.682
bonds (distance) P-C4' energy: -125.677
flat angles C4'-P-C4' energy: -149.597
flat angles P-C4'-P energy: -94.864
tors. eta vs tors. theta energy: -125.828
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: 232
Temperature: 1.200000
Total energy: -1617.273569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.273569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.273569 (E_RNA)
where:
Base-Base interactions energy: -1019.816
where: short stacking energy: -452.059
Base-Backbone interact. energy: -0.247
local terms energy: -597.210744
where:
bonds (distance) C4'-P energy: -138.680
bonds (distance) P-C4' energy: -127.577
flat angles C4'-P-C4' energy: -154.435
flat angles P-C4'-P energy: -73.836
tors. eta vs tors. theta energy: -102.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1317.433927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.433927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.433927 (E_RNA)
where:
Base-Base interactions energy: -815.884
where: short stacking energy: -384.114
Base-Backbone interact. energy: -1.383
local terms energy: -500.167044
where:
bonds (distance) C4'-P energy: -104.186
bonds (distance) P-C4' energy: -106.802
flat angles C4'-P-C4' energy: -131.591
flat angles P-C4'-P energy: -74.839
tors. eta vs tors. theta energy: -82.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -856.309743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.309743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.309743 (E_RNA)
where:
Base-Base interactions energy: -446.889
where: short stacking energy: -246.876
Base-Backbone interact. energy: 0.041
local terms energy: -409.461621
where:
bonds (distance) C4'-P energy: -107.367
bonds (distance) P-C4' energy: -132.102
flat angles C4'-P-C4' energy: -103.506
flat angles P-C4'-P energy: -60.872
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -575.998092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.998092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.998092 (E_RNA)
where:
Base-Base interactions energy: -196.175
where: short stacking energy: -170.913
Base-Backbone interact. energy: 4.178
local terms energy: -384.001543
where:
bonds (distance) C4'-P energy: -112.625
bonds (distance) P-C4' energy: -139.062
flat angles C4'-P-C4' energy: -107.892
flat angles P-C4'-P energy: -43.085
tors. eta vs tors. theta energy: 18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2697.878928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.878928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.878928 (E_RNA)
where:
Base-Base interactions energy: -1861.797
where: short stacking energy: -746.423
Base-Backbone interact. energy: -1.703
local terms energy: -834.378438
where:
bonds (distance) C4'-P energy: -154.349
bonds (distance) P-C4' energy: -163.557
flat angles C4'-P-C4' energy: -158.277
flat angles P-C4'-P energy: -116.572
tors. eta vs tors. theta energy: -241.624
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: 8
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -2549.988471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.988471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.988471 (E_RNA)
where:
Base-Base interactions energy: -1732.215
where: short stacking energy: -682.855
Base-Backbone interact. energy: -5.013
local terms energy: -812.760724
where:
bonds (distance) C4'-P energy: -148.000
bonds (distance) P-C4' energy: -156.463
flat angles C4'-P-C4' energy: -179.034
flat angles P-C4'-P energy: -115.049
tors. eta vs tors. theta energy: -214.216
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: 233
Temperature: 1.000000
Total energy: -2385.744694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2385.744694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2385.744694 (E_RNA)
where:
Base-Base interactions energy: -1630.468
where: short stacking energy: -697.104
Base-Backbone interact. energy: -1.684
local terms energy: -753.593213
where:
bonds (distance) C4'-P energy: -146.495
bonds (distance) P-C4' energy: -132.575
flat angles C4'-P-C4' energy: -154.534
flat angles P-C4'-P energy: -114.128
tors. eta vs tors. theta energy: -205.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -2290.651469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.651469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.651469 (E_RNA)
where:
Base-Base interactions energy: -1577.090
where: short stacking energy: -640.192
Base-Backbone interact. energy: -2.102
local terms energy: -711.458830
where:
bonds (distance) C4'-P energy: -119.013
bonds (distance) P-C4' energy: -137.184
flat angles C4'-P-C4' energy: -157.071
flat angles P-C4'-P energy: -118.077
tors. eta vs tors. theta energy: -180.114
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: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1949.930906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.930906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.930906 (E_RNA)
where:
Base-Base interactions energy: -1285.478
where: short stacking energy: -577.080
Base-Backbone interact. energy: -2.432
local terms energy: -662.020757
where:
bonds (distance) C4'-P energy: -131.066
bonds (distance) P-C4' energy: -131.905
flat angles C4'-P-C4' energy: -136.292
flat angles P-C4'-P energy: -95.121
tors. eta vs tors. theta energy: -167.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1755.473104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.473104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.473104 (E_RNA)
where:
Base-Base interactions energy: -1123.337
where: short stacking energy: -503.415
Base-Backbone interact. energy: -0.349
local terms energy: -631.786878
where:
bonds (distance) C4'-P energy: -130.178
bonds (distance) P-C4' energy: -133.236
flat angles C4'-P-C4' energy: -148.177
flat angles P-C4'-P energy: -87.608
tors. eta vs tors. theta energy: -132.588
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: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1583.998350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.998350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.998350 (E_RNA)
where:
Base-Base interactions energy: -971.804
where: short stacking energy: -438.336
Base-Backbone interact. energy: -1.029
local terms energy: -611.165709
where:
bonds (distance) C4'-P energy: -136.986
bonds (distance) P-C4' energy: -140.253
flat angles C4'-P-C4' energy: -156.245
flat angles P-C4'-P energy: -83.654
tors. eta vs tors. theta energy: -94.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1246.532357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.532357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.532357 (E_RNA)
where:
Base-Base interactions energy: -726.860
where: short stacking energy: -332.979
Base-Backbone interact. energy: -5.797
local terms energy: -513.875217
where:
bonds (distance) C4'-P energy: -121.568
bonds (distance) P-C4' energy: -146.016
flat angles C4'-P-C4' energy: -139.343
flat angles P-C4'-P energy: -55.461
tors. eta vs tors. theta energy: -51.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -801.650293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.650293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.650293 (E_RNA)
where:
Base-Base interactions energy: -363.171
where: short stacking energy: -231.192
Base-Backbone interact. energy: 0.331
local terms energy: -438.809667
where:
bonds (distance) C4'-P energy: -137.706
bonds (distance) P-C4' energy: -131.809
flat angles C4'-P-C4' energy: -123.326
flat angles P-C4'-P energy: -56.556
tors. eta vs tors. theta energy: 10.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -537.978702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.978702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.978702 (E_RNA)
where:
Base-Base interactions energy: -197.447
where: short stacking energy: -123.274
Base-Backbone interact. energy: 1.099
local terms energy: -341.630628
where:
bonds (distance) C4'-P energy: -120.518
bonds (distance) P-C4' energy: -126.230
flat angles C4'-P-C4' energy: -102.994
flat angles P-C4'-P energy: -47.005
tors. eta vs tors. theta energy: 55.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2687.705291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.705291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.705291 (E_RNA)
where:
Base-Base interactions energy: -1878.275
where: short stacking energy: -752.878
Base-Backbone interact. energy: -1.360
local terms energy: -808.069642
where:
bonds (distance) C4'-P energy: -139.745
bonds (distance) P-C4' energy: -155.465
flat angles C4'-P-C4' energy: -179.527
flat angles P-C4'-P energy: -108.962
tors. eta vs tors. theta energy: -224.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -2553.050310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.050310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.050310 (E_RNA)
where:
Base-Base interactions energy: -1774.327
where: short stacking energy: -722.081
Base-Backbone interact. energy: -0.448
local terms energy: -778.276053
where:
bonds (distance) C4'-P energy: -146.392
bonds (distance) P-C4' energy: -140.981
flat angles C4'-P-C4' energy: -157.022
flat angles P-C4'-P energy: -113.518
tors. eta vs tors. theta energy: -220.363
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: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -2362.588605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.588605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.588605 (E_RNA)
where:
Base-Base interactions energy: -1614.893
where: short stacking energy: -682.305
Base-Backbone interact. energy: -1.255
local terms energy: -746.441000
where:
bonds (distance) C4'-P energy: -143.532
bonds (distance) P-C4' energy: -153.039
flat angles C4'-P-C4' energy: -156.047
flat angles P-C4'-P energy: -90.231
tors. eta vs tors. theta energy: -203.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -2329.004484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.004484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.004484 (E_RNA)
where:
Base-Base interactions energy: -1588.593
where: short stacking energy: -654.043
Base-Backbone interact. energy: -3.659
local terms energy: -736.751856
where:
bonds (distance) C4'-P energy: -140.874
bonds (distance) P-C4' energy: -140.679
flat angles C4'-P-C4' energy: -157.713
flat angles P-C4'-P energy: -101.548
tors. eta vs tors. theta energy: -195.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1861.752860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.752860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.752860 (E_RNA)
where:
Base-Base interactions energy: -1196.604
where: short stacking energy: -524.897
Base-Backbone interact. energy: -0.314
local terms energy: -664.834563
where:
bonds (distance) C4'-P energy: -121.790
bonds (distance) P-C4' energy: -142.574
flat angles C4'-P-C4' energy: -150.098
flat angles P-C4'-P energy: -103.246
tors. eta vs tors. theta energy: -147.126
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: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1660.710577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.710577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.710577 (E_RNA)
where:
Base-Base interactions energy: -1067.807
where: short stacking energy: -470.892
Base-Backbone interact. energy: 4.542
local terms energy: -597.445815
where:
bonds (distance) C4'-P energy: -126.703
bonds (distance) P-C4' energy: -145.893
flat angles C4'-P-C4' energy: -137.530
flat angles P-C4'-P energy: -78.169
tors. eta vs tors. theta energy: -109.151
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: 234
Temperature: 1.200000
Total energy: -1603.193332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.193332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.193332 (E_RNA)
where:
Base-Base interactions energy: -1009.220
where: short stacking energy: -474.540
Base-Backbone interact. energy: -0.901
local terms energy: -593.072373
where:
bonds (distance) C4'-P energy: -133.366
bonds (distance) P-C4' energy: -143.089
flat angles C4'-P-C4' energy: -135.329
flat angles P-C4'-P energy: -67.699
tors. eta vs tors. theta energy: -113.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1247.582474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.582474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.582474 (E_RNA)
where:
Base-Base interactions energy: -727.707
where: short stacking energy: -342.716
Base-Backbone interact. energy: 1.101
local terms energy: -520.976334
where:
bonds (distance) C4'-P energy: -127.294
bonds (distance) P-C4' energy: -113.486
flat angles C4'-P-C4' energy: -134.103
flat angles P-C4'-P energy: -78.164
tors. eta vs tors. theta energy: -67.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -867.602685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.602685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.602685 (E_RNA)
where:
Base-Base interactions energy: -443.740
where: short stacking energy: -227.494
Base-Backbone interact. energy: -0.077
local terms energy: -423.785048
where:
bonds (distance) C4'-P energy: -130.981
bonds (distance) P-C4' energy: -111.526
flat angles C4'-P-C4' energy: -104.456
flat angles P-C4'-P energy: -71.401
tors. eta vs tors. theta energy: -5.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -543.694459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.694459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.694459 (E_RNA)
where:
Base-Base interactions energy: -204.061
where: short stacking energy: -173.865
Base-Backbone interact. energy: -0.506
local terms energy: -339.127900
where:
bonds (distance) C4'-P energy: -110.630
bonds (distance) P-C4' energy: -124.244
flat angles C4'-P-C4' energy: -68.560
flat angles P-C4'-P energy: -51.103
tors. eta vs tors. theta energy: 15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2700.177369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.177369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.177369 (E_RNA)
where:
Base-Base interactions energy: -1874.832
where: short stacking energy: -763.734
Base-Backbone interact. energy: -1.446
local terms energy: -823.899862
where:
bonds (distance) C4'-P energy: -148.216
bonds (distance) P-C4' energy: -153.929
flat angles C4'-P-C4' energy: -166.251
flat angles P-C4'-P energy: -122.048
tors. eta vs tors. theta energy: -233.456
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: 8
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -2577.723247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.723247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.723247 (E_RNA)
where:
Base-Base interactions energy: -1798.640
where: short stacking energy: -745.333
Base-Backbone interact. energy: -5.083
local terms energy: -774.000514
where:
bonds (distance) C4'-P energy: -121.041
bonds (distance) P-C4' energy: -140.921
flat angles C4'-P-C4' energy: -185.374
flat angles P-C4'-P energy: -102.057
tors. eta vs tors. theta energy: -224.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -2374.960070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.960070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.960070 (E_RNA)
where:
Base-Base interactions energy: -1641.972
where: short stacking energy: -698.604
Base-Backbone interact. energy: 1.303
local terms energy: -734.291358
where:
bonds (distance) C4'-P energy: -136.853
bonds (distance) P-C4' energy: -129.651
flat angles C4'-P-C4' energy: -148.581
flat angles P-C4'-P energy: -114.961
tors. eta vs tors. theta energy: -204.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -2304.234680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.234680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.234680 (E_RNA)
where:
Base-Base interactions energy: -1606.438
where: short stacking energy: -647.532
Base-Backbone interact. energy: -3.112
local terms energy: -694.685258
where:
bonds (distance) C4'-P energy: -124.733
bonds (distance) P-C4' energy: -151.177
flat angles C4'-P-C4' energy: -165.588
flat angles P-C4'-P energy: -75.708
tors. eta vs tors. theta energy: -177.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1887.285468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.285468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.285468 (E_RNA)
where:
Base-Base interactions energy: -1230.657
where: short stacking energy: -568.446
Base-Backbone interact. energy: -1.491
local terms energy: -655.137387
where:
bonds (distance) C4'-P energy: -148.086
bonds (distance) P-C4' energy: -143.768
flat angles C4'-P-C4' energy: -150.529
flat angles P-C4'-P energy: -72.149
tors. eta vs tors. theta energy: -140.606
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: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1610.647997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.647997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.647997 (E_RNA)
where:
Base-Base interactions energy: -1011.428
where: short stacking energy: -475.368
Base-Backbone interact. energy: -2.497
local terms energy: -596.723120
where:
bonds (distance) C4'-P energy: -132.151
bonds (distance) P-C4' energy: -134.577
flat angles C4'-P-C4' energy: -139.824
flat angles P-C4'-P energy: -94.631
tors. eta vs tors. theta energy: -95.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1578.829680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.829680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.829680 (E_RNA)
where:
Base-Base interactions energy: -970.886
where: short stacking energy: -428.270
Base-Backbone interact. energy: -1.949
local terms energy: -605.995497
where:
bonds (distance) C4'-P energy: -137.371
bonds (distance) P-C4' energy: -147.092
flat angles C4'-P-C4' energy: -142.491
flat angles P-C4'-P energy: -86.831
tors. eta vs tors. theta energy: -92.211
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: 7
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1205.794224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.794224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.794224 (E_RNA)
where:
Base-Base interactions energy: -720.440
where: short stacking energy: -345.546
Base-Backbone interact. energy: -2.238
local terms energy: -483.116369
where:
bonds (distance) C4'-P energy: -134.305
bonds (distance) P-C4' energy: -102.572
flat angles C4'-P-C4' energy: -120.925
flat angles P-C4'-P energy: -64.444
tors. eta vs tors. theta energy: -60.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -901.810765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.810765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.810765 (E_RNA)
where:
Base-Base interactions energy: -491.546
where: short stacking energy: -260.182
Base-Backbone interact. energy: -3.657
local terms energy: -406.608148
where:
bonds (distance) C4'-P energy: -95.836
bonds (distance) P-C4' energy: -114.324
flat angles C4'-P-C4' energy: -107.308
flat angles P-C4'-P energy: -71.172
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -545.453669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.453669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.453669 (E_RNA)
where:
Base-Base interactions energy: -178.605
where: short stacking energy: -129.982
Base-Backbone interact. energy: -2.980
local terms energy: -363.869150
where:
bonds (distance) C4'-P energy: -115.598
bonds (distance) P-C4' energy: -104.789
flat angles C4'-P-C4' energy: -99.176
flat angles P-C4'-P energy: -67.206
tors. eta vs tors. theta energy: 22.900
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: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2689.893038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.893038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.893038 (E_RNA)
where:
Base-Base interactions energy: -1839.803
where: short stacking energy: -749.276
Base-Backbone interact. energy: -1.099
local terms energy: -848.990736
where:
bonds (distance) C4'-P energy: -139.452
bonds (distance) P-C4' energy: -170.487
flat angles C4'-P-C4' energy: -179.547
flat angles P-C4'-P energy: -123.024
tors. eta vs tors. theta energy: -236.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -2546.640593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.640593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.640593 (E_RNA)
where:
Base-Base interactions energy: -1767.966
where: short stacking energy: -697.434
Base-Backbone interact. energy: 2.299
local terms energy: -780.973342
where:
bonds (distance) C4'-P energy: -138.848
bonds (distance) P-C4' energy: -143.319
flat angles C4'-P-C4' energy: -170.272
flat angles P-C4'-P energy: -113.339
tors. eta vs tors. theta energy: -215.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -2392.498843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.498843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.498843 (E_RNA)
where:
Base-Base interactions energy: -1615.144
where: short stacking energy: -664.757
Base-Backbone interact. energy: -4.785
local terms energy: -772.570043
where:
bonds (distance) C4'-P energy: -150.953
bonds (distance) P-C4' energy: -145.486
flat angles C4'-P-C4' energy: -164.879
flat angles P-C4'-P energy: -104.604
tors. eta vs tors. theta energy: -206.648
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: 3
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -2265.242683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.242683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.242683 (E_RNA)
where:
Base-Base interactions energy: -1525.156
where: short stacking energy: -639.775
Base-Backbone interact. energy: 0.058
local terms energy: -740.144985
where:
bonds (distance) C4'-P energy: -140.867
bonds (distance) P-C4' energy: -141.865
flat angles C4'-P-C4' energy: -157.337
flat angles P-C4'-P energy: -113.020
tors. eta vs tors. theta energy: -187.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1941.310400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.310400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.310400 (E_RNA)
where:
Base-Base interactions energy: -1298.104
where: short stacking energy: -567.248
Base-Backbone interact. energy: -0.998
local terms energy: -642.207684
where:
bonds (distance) C4'-P energy: -132.538
bonds (distance) P-C4' energy: -141.874
flat angles C4'-P-C4' energy: -142.332
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -144.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1642.933280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.933280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.933280 (E_RNA)
where:
Base-Base interactions energy: -1035.700
where: short stacking energy: -488.665
Base-Backbone interact. energy: -2.795
local terms energy: -604.438202
where:
bonds (distance) C4'-P energy: -122.701
bonds (distance) P-C4' energy: -129.746
flat angles C4'-P-C4' energy: -154.154
flat angles P-C4'-P energy: -87.855
tors. eta vs tors. theta energy: -109.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1565.219745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.219745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.219745 (E_RNA)
where:
Base-Base interactions energy: -1002.395
where: short stacking energy: -435.534
Base-Backbone interact. energy: 2.004
local terms energy: -564.828274
where:
bonds (distance) C4'-P energy: -136.039
bonds (distance) P-C4' energy: -126.755
flat angles C4'-P-C4' energy: -110.878
flat angles P-C4'-P energy: -81.482
tors. eta vs tors. theta energy: -109.674
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: 7
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1194.784682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1194.784682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1194.784682 (E_RNA)
where:
Base-Base interactions energy: -707.564
where: short stacking energy: -340.552
Base-Backbone interact. energy: 4.523
local terms energy: -491.744274
where:
bonds (distance) C4'-P energy: -136.535
bonds (distance) P-C4' energy: -109.987
flat angles C4'-P-C4' energy: -138.028
flat angles P-C4'-P energy: -65.636
tors. eta vs tors. theta energy: -41.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -901.798919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.798919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.798919 (E_RNA)
where:
Base-Base interactions energy: -457.314
where: short stacking energy: -223.884
Base-Backbone interact. energy: 0.217
local terms energy: -444.701220
where:
bonds (distance) C4'-P energy: -122.353
bonds (distance) P-C4' energy: -120.830
flat angles C4'-P-C4' energy: -125.808
flat angles P-C4'-P energy: -86.888
tors. eta vs tors. theta energy: 11.178
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: 1
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -559.711470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.711470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.711470 (E_RNA)
where:
Base-Base interactions energy: -180.083
where: short stacking energy: -133.061
Base-Backbone interact. energy: 0.678
local terms energy: -380.306460
where:
bonds (distance) C4'-P energy: -115.431
bonds (distance) P-C4' energy: -143.842
flat angles C4'-P-C4' energy: -100.621
flat angles P-C4'-P energy: -46.748
tors. eta vs tors. theta energy: 26.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2669.855087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.855087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.855087 (E_RNA)
where:
Base-Base interactions energy: -1859.627
where: short stacking energy: -753.428
Base-Backbone interact. energy: -0.310
local terms energy: -809.917931
where:
bonds (distance) C4'-P energy: -137.272
bonds (distance) P-C4' energy: -155.098
flat angles C4'-P-C4' energy: -178.589
flat angles P-C4'-P energy: -111.914
tors. eta vs tors. theta energy: -227.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2553.900724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.900724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.900724 (E_RNA)
where:
Base-Base interactions energy: -1756.867
where: short stacking energy: -723.674
Base-Backbone interact. energy: 1.301
local terms energy: -798.335041
where:
bonds (distance) C4'-P energy: -137.876
bonds (distance) P-C4' energy: -139.281
flat angles C4'-P-C4' energy: -175.826
flat angles P-C4'-P energy: -122.968
tors. eta vs tors. theta energy: -222.384
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: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -2405.291951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.291951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.291951 (E_RNA)
where:
Base-Base interactions energy: -1627.678
where: short stacking energy: -679.022
Base-Backbone interact. energy: -2.347
local terms energy: -775.266885
where:
bonds (distance) C4'-P energy: -127.558
bonds (distance) P-C4' energy: -170.388
flat angles C4'-P-C4' energy: -157.049
flat angles P-C4'-P energy: -113.552
tors. eta vs tors. theta energy: -206.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -2205.489180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.489180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.489180 (E_RNA)
where:
Base-Base interactions energy: -1511.707
where: short stacking energy: -616.194
Base-Backbone interact. energy: -4.877
local terms energy: -688.905461
where:
bonds (distance) C4'-P energy: -144.976
bonds (distance) P-C4' energy: -150.764
flat angles C4'-P-C4' energy: -138.280
flat angles P-C4'-P energy: -78.013
tors. eta vs tors. theta energy: -176.873
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: 237
Temperature: 1.100000
Total energy: -1833.953747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.953747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.953747 (E_RNA)
where:
Base-Base interactions energy: -1177.900
where: short stacking energy: -550.333
Base-Backbone interact. energy: 4.008
local terms energy: -660.061362
where:
bonds (distance) C4'-P energy: -119.945
bonds (distance) P-C4' energy: -141.174
flat angles C4'-P-C4' energy: -147.247
flat angles P-C4'-P energy: -108.666
tors. eta vs tors. theta energy: -143.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1651.604595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.604595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.604595 (E_RNA)
where:
Base-Base interactions energy: -1065.856
where: short stacking energy: -496.262
Base-Backbone interact. energy: 4.437
local terms energy: -590.185340
where:
bonds (distance) C4'-P energy: -116.679
bonds (distance) P-C4' energy: -138.997
flat angles C4'-P-C4' energy: -131.453
flat angles P-C4'-P energy: -84.568
tors. eta vs tors. theta energy: -118.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1635.758342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.758342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.758342 (E_RNA)
where:
Base-Base interactions energy: -1080.299
where: short stacking energy: -478.969
Base-Backbone interact. energy: 0.000
local terms energy: -555.460028
where:
bonds (distance) C4'-P energy: -120.291
bonds (distance) P-C4' energy: -136.673
flat angles C4'-P-C4' energy: -132.520
flat angles P-C4'-P energy: -62.875
tors. eta vs tors. theta energy: -103.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1158.605454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.605454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.605454 (E_RNA)
where:
Base-Base interactions energy: -674.670
where: short stacking energy: -302.716
Base-Backbone interact. energy: 0.139
local terms energy: -484.074338
where:
bonds (distance) C4'-P energy: -110.424
bonds (distance) P-C4' energy: -131.435
flat angles C4'-P-C4' energy: -129.475
flat angles P-C4'-P energy: -72.705
tors. eta vs tors. theta energy: -40.035
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: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -939.290583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.290583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.290583 (E_RNA)
where:
Base-Base interactions energy: -525.788
where: short stacking energy: -275.834
Base-Backbone interact. energy: 6.304
local terms energy: -419.805932
where:
bonds (distance) C4'-P energy: -101.519
bonds (distance) P-C4' energy: -137.777
flat angles C4'-P-C4' energy: -88.269
flat angles P-C4'-P energy: -59.562
tors. eta vs tors. theta energy: -32.679
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: 10, replica: 1
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -544.576441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.576441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.576441 (E_RNA)
where:
Base-Base interactions energy: -188.157
where: short stacking energy: -154.098
Base-Backbone interact. energy: -3.096
local terms energy: -353.322623
where:
bonds (distance) C4'-P energy: -124.574
bonds (distance) P-C4' energy: -129.890
flat angles C4'-P-C4' energy: -82.078
flat angles P-C4'-P energy: -51.631
tors. eta vs tors. theta energy: 34.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2661.734751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.734751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.734751 (E_RNA)
where:
Base-Base interactions energy: -1846.426
where: short stacking energy: -762.493
Base-Backbone interact. energy: -8.014
local terms energy: -807.294215
where:
bonds (distance) C4'-P energy: -139.679
bonds (distance) P-C4' energy: -146.621
flat angles C4'-P-C4' energy: -178.812
flat angles P-C4'-P energy: -112.800
tors. eta vs tors. theta energy: -229.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -2552.619700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.619700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.619700 (E_RNA)
where:
Base-Base interactions energy: -1750.901
where: short stacking energy: -709.891
Base-Backbone interact. energy: -1.912
local terms energy: -799.806513
where:
bonds (distance) C4'-P energy: -144.877
bonds (distance) P-C4' energy: -151.857
flat angles C4'-P-C4' energy: -171.754
flat angles P-C4'-P energy: -107.663
tors. eta vs tors. theta energy: -223.655
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: 238
Temperature: 1.000000
Total energy: -2373.759171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2373.759171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2373.759171 (E_RNA)
where:
Base-Base interactions energy: -1614.819
where: short stacking energy: -657.793
Base-Backbone interact. energy: -2.264
local terms energy: -756.676308
where:
bonds (distance) C4'-P energy: -125.398
bonds (distance) P-C4' energy: -156.408
flat angles C4'-P-C4' energy: -171.926
flat angles P-C4'-P energy: -110.712
tors. eta vs tors. theta energy: -192.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -2205.563065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.563065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.563065 (E_RNA)
where:
Base-Base interactions energy: -1477.480
where: short stacking energy: -628.749
Base-Backbone interact. energy: -2.521
local terms energy: -725.561815
where:
bonds (distance) C4'-P energy: -140.266
bonds (distance) P-C4' energy: -135.994
flat angles C4'-P-C4' energy: -167.418
flat angles P-C4'-P energy: -98.214
tors. eta vs tors. theta energy: -183.670
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: 5, replica: 4
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1860.782469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.782469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.782469 (E_RNA)
where:
Base-Base interactions energy: -1221.918
where: short stacking energy: -536.729
Base-Backbone interact. energy: 2.507
local terms energy: -641.371992
where:
bonds (distance) C4'-P energy: -124.147
bonds (distance) P-C4' energy: -137.912
flat angles C4'-P-C4' energy: -142.107
flat angles P-C4'-P energy: -98.130
tors. eta vs tors. theta energy: -139.076
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: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1732.093706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.093706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.093706 (E_RNA)
where:
Base-Base interactions energy: -1100.753
where: short stacking energy: -497.348
Base-Backbone interact. energy: -0.870
local terms energy: -630.470550
where:
bonds (distance) C4'-P energy: -121.062
bonds (distance) P-C4' energy: -137.125
flat angles C4'-P-C4' energy: -139.121
flat angles P-C4'-P energy: -92.138
tors. eta vs tors. theta energy: -141.025
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: 5
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1678.770267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.770267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.770267 (E_RNA)
where:
Base-Base interactions energy: -1076.898
where: short stacking energy: -480.080
Base-Backbone interact. energy: 3.250
local terms energy: -605.122470
where:
bonds (distance) C4'-P energy: -122.338
bonds (distance) P-C4' energy: -134.956
flat angles C4'-P-C4' energy: -147.128
flat angles P-C4'-P energy: -84.280
tors. eta vs tors. theta energy: -116.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1213.204949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.204949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.204949 (E_RNA)
where:
Base-Base interactions energy: -696.254
where: short stacking energy: -319.599
Base-Backbone interact. energy: 1.535
local terms energy: -518.485860
where:
bonds (distance) C4'-P energy: -128.848
bonds (distance) P-C4' energy: -139.628
flat angles C4'-P-C4' energy: -105.185
flat angles P-C4'-P energy: -84.834
tors. eta vs tors. theta energy: -59.991
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: 238
Temperature: 1.300000
Total energy: -821.066176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.066176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.066176 (E_RNA)
where:
Base-Base interactions energy: -430.436
where: short stacking energy: -237.047
Base-Backbone interact. energy: 4.373
local terms energy: -395.003404
where:
bonds (distance) C4'-P energy: -111.543
bonds (distance) P-C4' energy: -118.731
flat angles C4'-P-C4' energy: -109.136
flat angles P-C4'-P energy: -56.145
tors. eta vs tors. theta energy: 0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -529.732078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.732078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.732078 (E_RNA)
where:
Base-Base interactions energy: -200.842
where: short stacking energy: -136.487
Base-Backbone interact. energy: 4.460
local terms energy: -333.349524
where:
bonds (distance) C4'-P energy: -106.692
bonds (distance) P-C4' energy: -127.547
flat angles C4'-P-C4' energy: -94.437
flat angles P-C4'-P energy: -46.822
tors. eta vs tors. theta energy: 42.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2715.596222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.596222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.596222 (E_RNA)
where:
Base-Base interactions energy: -1885.978
where: short stacking energy: -767.703
Base-Backbone interact. energy: -3.926
local terms energy: -825.691679
where:
bonds (distance) C4'-P energy: -148.483
bonds (distance) P-C4' energy: -159.701
flat angles C4'-P-C4' energy: -170.385
flat angles P-C4'-P energy: -115.413
tors. eta vs tors. theta energy: -231.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -2531.173244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.173244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.173244 (E_RNA)
where:
Base-Base interactions energy: -1719.741
where: short stacking energy: -719.620
Base-Backbone interact. energy: 3.737
local terms energy: -815.169369
where:
bonds (distance) C4'-P energy: -158.689
bonds (distance) P-C4' energy: -156.168
flat angles C4'-P-C4' energy: -165.248
flat angles P-C4'-P energy: -118.015
tors. eta vs tors. theta energy: -217.048
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: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -2334.613524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.613524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.613524 (E_RNA)
where:
Base-Base interactions energy: -1562.699
where: short stacking energy: -641.667
Base-Backbone interact. energy: 1.877
local terms energy: -773.791409
where:
bonds (distance) C4'-P energy: -147.232
bonds (distance) P-C4' energy: -152.455
flat angles C4'-P-C4' energy: -167.563
flat angles P-C4'-P energy: -121.587
tors. eta vs tors. theta energy: -184.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -2231.312294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.312294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.312294 (E_RNA)
where:
Base-Base interactions energy: -1529.041
where: short stacking energy: -643.142
Base-Backbone interact. energy: -4.547
local terms energy: -697.724532
where:
bonds (distance) C4'-P energy: -128.026
bonds (distance) P-C4' energy: -135.266
flat angles C4'-P-C4' energy: -160.507
flat angles P-C4'-P energy: -86.542
tors. eta vs tors. theta energy: -187.384
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: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1904.837315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.837315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.837315 (E_RNA)
where:
Base-Base interactions energy: -1232.828
where: short stacking energy: -558.490
Base-Backbone interact. energy: -3.047
local terms energy: -668.962913
where:
bonds (distance) C4'-P energy: -133.064
bonds (distance) P-C4' energy: -138.201
flat angles C4'-P-C4' energy: -167.029
flat angles P-C4'-P energy: -100.131
tors. eta vs tors. theta energy: -130.538
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: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1723.295681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.295681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.295681 (E_RNA)
where:
Base-Base interactions energy: -1119.621
where: short stacking energy: -502.479
Base-Backbone interact. energy: -2.179
local terms energy: -601.495849
where:
bonds (distance) C4'-P energy: -133.169
bonds (distance) P-C4' energy: -122.693
flat angles C4'-P-C4' energy: -138.453
flat angles P-C4'-P energy: -86.719
tors. eta vs tors. theta energy: -120.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1608.373855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.373855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.373855 (E_RNA)
where:
Base-Base interactions energy: -995.467
where: short stacking energy: -421.537
Base-Backbone interact. energy: 2.057
local terms energy: -614.963780
where:
bonds (distance) C4'-P energy: -139.257
bonds (distance) P-C4' energy: -124.042
flat angles C4'-P-C4' energy: -128.843
flat angles P-C4'-P energy: -105.247
tors. eta vs tors. theta energy: -117.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1200.134796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.134796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.134796 (E_RNA)
where:
Base-Base interactions energy: -660.468
where: short stacking energy: -332.792
Base-Backbone interact. energy: 0.229
local terms energy: -539.895739
where:
bonds (distance) C4'-P energy: -137.991
bonds (distance) P-C4' energy: -123.887
flat angles C4'-P-C4' energy: -130.656
flat angles P-C4'-P energy: -87.401
tors. eta vs tors. theta energy: -59.962
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: 239
Temperature: 1.300000
Total energy: -818.642610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.642610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.642610 (E_RNA)
where:
Base-Base interactions energy: -389.456
where: short stacking energy: -228.251
Base-Backbone interact. energy: 0.178
local terms energy: -429.364164
where:
bonds (distance) C4'-P energy: -129.992
bonds (distance) P-C4' energy: -134.565
flat angles C4'-P-C4' energy: -104.501
flat angles P-C4'-P energy: -50.738
tors. eta vs tors. theta energy: -9.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -545.240874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.240874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.240874 (E_RNA)
where:
Base-Base interactions energy: -204.582
where: short stacking energy: -145.800
Base-Backbone interact. energy: -0.578
local terms energy: -340.081099
where:
bonds (distance) C4'-P energy: -119.162
bonds (distance) P-C4' energy: -126.212
flat angles C4'-P-C4' energy: -90.144
flat angles P-C4'-P energy: -42.977
tors. eta vs tors. theta energy: 38.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2712.597157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.597157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.597157 (E_RNA)
where:
Base-Base interactions energy: -1897.359
where: short stacking energy: -735.872
Base-Backbone interact. energy: -4.987
local terms energy: -810.250816
where:
bonds (distance) C4'-P energy: -156.765
bonds (distance) P-C4' energy: -140.610
flat angles C4'-P-C4' energy: -172.969
flat angles P-C4'-P energy: -108.382
tors. eta vs tors. theta energy: -231.525
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: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2500.810257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.810257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.810257 (E_RNA)
where:
Base-Base interactions energy: -1730.828
where: short stacking energy: -706.170
Base-Backbone interact. energy: -2.813
local terms energy: -767.169035
where:
bonds (distance) C4'-P energy: -142.706
bonds (distance) P-C4' energy: -145.640
flat angles C4'-P-C4' energy: -166.530
flat angles P-C4'-P energy: -109.608
tors. eta vs tors. theta energy: -202.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -2382.176118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2382.176118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2382.176118 (E_RNA)
where:
Base-Base interactions energy: -1613.379
where: short stacking energy: -650.713
Base-Backbone interact. energy: 0.276
local terms energy: -769.073008
where:
bonds (distance) C4'-P energy: -151.760
bonds (distance) P-C4' energy: -156.043
flat angles C4'-P-C4' energy: -156.717
flat angles P-C4'-P energy: -98.152
tors. eta vs tors. theta energy: -206.402
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: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -2232.626299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2232.626299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2232.626299 (E_RNA)
where:
Base-Base interactions energy: -1504.023
where: short stacking energy: -637.610
Base-Backbone interact. energy: -3.524
local terms energy: -725.079601
where:
bonds (distance) C4'-P energy: -133.327
bonds (distance) P-C4' energy: -149.328
flat angles C4'-P-C4' energy: -146.776
flat angles P-C4'-P energy: -109.181
tors. eta vs tors. theta energy: -186.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1821.302442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.302442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.302442 (E_RNA)
where:
Base-Base interactions energy: -1177.582
where: short stacking energy: -555.227
Base-Backbone interact. energy: -3.623
local terms energy: -640.097136
where:
bonds (distance) C4'-P energy: -124.227
bonds (distance) P-C4' energy: -129.373
flat angles C4'-P-C4' energy: -151.094
flat angles P-C4'-P energy: -91.940
tors. eta vs tors. theta energy: -143.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1738.409026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.409026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.409026 (E_RNA)
where:
Base-Base interactions energy: -1090.757
where: short stacking energy: -487.866
Base-Backbone interact. energy: 3.320
local terms energy: -650.972190
where:
bonds (distance) C4'-P energy: -149.743
bonds (distance) P-C4' energy: -151.482
flat angles C4'-P-C4' energy: -132.468
flat angles P-C4'-P energy: -92.313
tors. eta vs tors. theta energy: -124.966
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: 5
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1581.513805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.513805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.513805 (E_RNA)
where:
Base-Base interactions energy: -989.179
where: short stacking energy: -426.563
Base-Backbone interact. energy: -1.073
local terms energy: -591.261865
where:
bonds (distance) C4'-P energy: -133.424
bonds (distance) P-C4' energy: -137.180
flat angles C4'-P-C4' energy: -132.679
flat angles P-C4'-P energy: -85.112
tors. eta vs tors. theta energy: -102.866
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: 7
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1206.152823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.152823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.152823 (E_RNA)
where:
Base-Base interactions energy: -725.061
where: short stacking energy: -331.504
Base-Backbone interact. energy: 1.789
local terms energy: -482.881097
where:
bonds (distance) C4'-P energy: -101.956
bonds (distance) P-C4' energy: -128.328
flat angles C4'-P-C4' energy: -117.157
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -69.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -804.430268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.430268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.430268 (E_RNA)
where:
Base-Base interactions energy: -374.863
where: short stacking energy: -201.164
Base-Backbone interact. energy: -2.551
local terms energy: -427.016556
where:
bonds (distance) C4'-P energy: -125.025
bonds (distance) P-C4' energy: -152.260
flat angles C4'-P-C4' energy: -111.333
flat angles P-C4'-P energy: -49.977
tors. eta vs tors. theta energy: 11.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -554.312220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.312220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.312220 (E_RNA)
where:
Base-Base interactions energy: -160.706
where: short stacking energy: -132.458
Base-Backbone interact. energy: -1.978
local terms energy: -391.628200
where:
bonds (distance) C4'-P energy: -130.085
bonds (distance) P-C4' energy: -136.203
flat angles C4'-P-C4' energy: -99.240
flat angles P-C4'-P energy: -59.166
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: 1, replica: 2
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2716.170562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.170562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.170562 (E_RNA)
where:
Base-Base interactions energy: -1867.450
where: short stacking energy: -765.853
Base-Backbone interact. energy: -6.725
local terms energy: -841.995463
where:
bonds (distance) C4'-P energy: -147.808
bonds (distance) P-C4' energy: -164.757
flat angles C4'-P-C4' energy: -177.351
flat angles P-C4'-P energy: -117.826
tors. eta vs tors. theta energy: -234.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2533.388142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.388142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.388142 (E_RNA)
where:
Base-Base interactions energy: -1763.339
where: short stacking energy: -702.517
Base-Backbone interact. energy: -0.436
local terms energy: -769.613310
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -159.158
flat angles C4'-P-C4' energy: -157.379
flat angles P-C4'-P energy: -110.238
tors. eta vs tors. theta energy: -210.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -2424.699539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.699539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.699539 (E_RNA)
where:
Base-Base interactions energy: -1636.754
where: short stacking energy: -691.847
Base-Backbone interact. energy: -3.090
local terms energy: -784.856082
where:
bonds (distance) C4'-P energy: -151.567
bonds (distance) P-C4' energy: -148.173
flat angles C4'-P-C4' energy: -162.492
flat angles P-C4'-P energy: -104.277
tors. eta vs tors. theta energy: -218.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -2271.221971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.221971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.221971 (E_RNA)
where:
Base-Base interactions energy: -1555.193
where: short stacking energy: -638.620
Base-Backbone interact. energy: -1.912
local terms energy: -714.116170
where:
bonds (distance) C4'-P energy: -138.327
bonds (distance) P-C4' energy: -139.993
flat angles C4'-P-C4' energy: -141.577
flat angles P-C4'-P energy: -102.609
tors. eta vs tors. theta energy: -191.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1784.417353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.417353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.417353 (E_RNA)
where:
Base-Base interactions energy: -1146.893
where: short stacking energy: -497.618
Base-Backbone interact. energy: -3.747
local terms energy: -633.777509
where:
bonds (distance) C4'-P energy: -120.584
bonds (distance) P-C4' energy: -149.948
flat angles C4'-P-C4' energy: -146.699
flat angles P-C4'-P energy: -91.316
tors. eta vs tors. theta energy: -125.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1724.322702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.322702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.322702 (E_RNA)
where:
Base-Base interactions energy: -1119.495
where: short stacking energy: -492.015
Base-Backbone interact. energy: 0.930
local terms energy: -605.757687
where:
bonds (distance) C4'-P energy: -126.419
bonds (distance) P-C4' energy: -137.255
flat angles C4'-P-C4' energy: -137.912
flat angles P-C4'-P energy: -79.195
tors. eta vs tors. theta energy: -124.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1532.485740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.485740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.485740 (E_RNA)
where:
Base-Base interactions energy: -948.818
where: short stacking energy: -412.442
Base-Backbone interact. energy: -5.435
local terms energy: -578.232709
where:
bonds (distance) C4'-P energy: -108.736
bonds (distance) P-C4' energy: -154.379
flat angles C4'-P-C4' energy: -128.585
flat angles P-C4'-P energy: -87.465
tors. eta vs tors. theta energy: -99.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1214.997694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.997694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.997694 (E_RNA)
where:
Base-Base interactions energy: -707.872
where: short stacking energy: -339.881
Base-Backbone interact. energy: 0.100
local terms energy: -507.225787
where:
bonds (distance) C4'-P energy: -122.310
bonds (distance) P-C4' energy: -121.121
flat angles C4'-P-C4' energy: -137.049
flat angles P-C4'-P energy: -69.971
tors. eta vs tors. theta energy: -56.775
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -894.750584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.750584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.750584 (E_RNA)
where:
Base-Base interactions energy: -457.199
where: short stacking energy: -277.889
Base-Backbone interact. energy: 7.161
local terms energy: -444.713105
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -132.447
flat angles C4'-P-C4' energy: -112.928
flat angles P-C4'-P energy: -77.627
tors. eta vs tors. theta energy: -8.744
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: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -545.713312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.713312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.713312 (E_RNA)
where:
Base-Base interactions energy: -173.012
where: short stacking energy: -116.749
Base-Backbone interact. energy: 4.298
local terms energy: -376.999359
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -118.503
flat angles C4'-P-C4' energy: -109.247
flat angles P-C4'-P energy: -69.152
tors. eta vs tors. theta energy: 24.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2695.452623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.452623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.452623 (E_RNA)
where:
Base-Base interactions energy: -1855.396
where: short stacking energy: -770.063
Base-Backbone interact. energy: -5.532
local terms energy: -834.524984
where:
bonds (distance) C4'-P energy: -145.284
bonds (distance) P-C4' energy: -159.000
flat angles C4'-P-C4' energy: -179.237
flat angles P-C4'-P energy: -114.153
tors. eta vs tors. theta energy: -236.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -2538.874785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.874785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.874785 (E_RNA)
where:
Base-Base interactions energy: -1737.541
where: short stacking energy: -724.917
Base-Backbone interact. energy: -1.357
local terms energy: -799.977165
where:
bonds (distance) C4'-P energy: -153.353
bonds (distance) P-C4' energy: -136.761
flat angles C4'-P-C4' energy: -173.500
flat angles P-C4'-P energy: -118.206
tors. eta vs tors. theta energy: -218.157
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: 242
Temperature: 1.000000
Total energy: -2403.019978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.019978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.019978 (E_RNA)
where:
Base-Base interactions energy: -1637.591
where: short stacking energy: -684.866
Base-Backbone interact. energy: -0.074
local terms energy: -765.354988
where:
bonds (distance) C4'-P energy: -151.661
bonds (distance) P-C4' energy: -150.161
flat angles C4'-P-C4' energy: -158.024
flat angles P-C4'-P energy: -105.982
tors. eta vs tors. theta energy: -199.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -2218.847623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2218.847623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2218.847623 (E_RNA)
where:
Base-Base interactions energy: -1520.019
where: short stacking energy: -663.112
Base-Backbone interact. energy: -4.926
local terms energy: -693.903007
where:
bonds (distance) C4'-P energy: -139.473
bonds (distance) P-C4' energy: -130.640
flat angles C4'-P-C4' energy: -147.143
flat angles P-C4'-P energy: -86.137
tors. eta vs tors. theta energy: -190.511
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: 4
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1902.436929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.436929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.436929 (E_RNA)
where:
Base-Base interactions energy: -1248.195
where: short stacking energy: -560.118
Base-Backbone interact. energy: -2.353
local terms energy: -651.888254
where:
bonds (distance) C4'-P energy: -130.775
bonds (distance) P-C4' energy: -133.325
flat angles C4'-P-C4' energy: -156.119
flat angles P-C4'-P energy: -96.500
tors. eta vs tors. theta energy: -135.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1687.218631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.218631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.218631 (E_RNA)
where:
Base-Base interactions energy: -1113.381
where: short stacking energy: -499.925
Base-Backbone interact. energy: -1.178
local terms energy: -572.659666
where:
bonds (distance) C4'-P energy: -111.746
bonds (distance) P-C4' energy: -136.109
flat angles C4'-P-C4' energy: -128.421
flat angles P-C4'-P energy: -86.233
tors. eta vs tors. theta energy: -110.151
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: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1614.268307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.268307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.268307 (E_RNA)
where:
Base-Base interactions energy: -1046.122
where: short stacking energy: -459.416
Base-Backbone interact. energy: 0.174
local terms energy: -568.320855
where:
bonds (distance) C4'-P energy: -133.864
bonds (distance) P-C4' energy: -127.726
flat angles C4'-P-C4' energy: -137.730
flat angles P-C4'-P energy: -68.216
tors. eta vs tors. theta energy: -100.786
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: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1189.752599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.752599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.752599 (E_RNA)
where:
Base-Base interactions energy: -699.524
where: short stacking energy: -326.496
Base-Backbone interact. energy: -2.005
local terms energy: -488.224172
where:
bonds (distance) C4'-P energy: -118.677
bonds (distance) P-C4' energy: -128.650
flat angles C4'-P-C4' energy: -134.106
flat angles P-C4'-P energy: -83.528
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -891.481005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.481005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.481005 (E_RNA)
where:
Base-Base interactions energy: -438.472
where: short stacking energy: -241.324
Base-Backbone interact. energy: 2.980
local terms energy: -455.988973
where:
bonds (distance) C4'-P energy: -128.815
bonds (distance) P-C4' energy: -130.524
flat angles C4'-P-C4' energy: -106.337
flat angles P-C4'-P energy: -71.660
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -551.739640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.739640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.739640 (E_RNA)
where:
Base-Base interactions energy: -203.074
where: short stacking energy: -150.824
Base-Backbone interact. energy: -2.770
local terms energy: -345.895902
where:
bonds (distance) C4'-P energy: -110.771
bonds (distance) P-C4' energy: -112.907
flat angles C4'-P-C4' energy: -88.954
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: 25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2666.487871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.487871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.487871 (E_RNA)
where:
Base-Base interactions energy: -1848.768
where: short stacking energy: -748.453
Base-Backbone interact. energy: 3.859
local terms energy: -821.579122
where:
bonds (distance) C4'-P energy: -140.885
bonds (distance) P-C4' energy: -154.155
flat angles C4'-P-C4' energy: -174.864
flat angles P-C4'-P energy: -116.380
tors. eta vs tors. theta energy: -235.295
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: 8
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2515.893193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.893193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.893193 (E_RNA)
where:
Base-Base interactions energy: -1739.060
where: short stacking energy: -703.408
Base-Backbone interact. energy: -2.286
local terms energy: -774.546926
where:
bonds (distance) C4'-P energy: -147.286
bonds (distance) P-C4' energy: -142.517
flat angles C4'-P-C4' energy: -171.924
flat angles P-C4'-P energy: -106.464
tors. eta vs tors. theta energy: -206.355
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: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -2397.861349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2397.861349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2397.861349 (E_RNA)
where:
Base-Base interactions energy: -1641.142
where: short stacking energy: -678.337
Base-Backbone interact. energy: -5.052
local terms energy: -751.667213
where:
bonds (distance) C4'-P energy: -138.125
bonds (distance) P-C4' energy: -139.728
flat angles C4'-P-C4' energy: -158.450
flat angles P-C4'-P energy: -107.726
tors. eta vs tors. theta energy: -207.639
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: 3
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -2221.985746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.985746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.985746 (E_RNA)
where:
Base-Base interactions energy: -1528.418
where: short stacking energy: -639.132
Base-Backbone interact. energy: -2.758
local terms energy: -690.810178
where:
bonds (distance) C4'-P energy: -114.710
bonds (distance) P-C4' energy: -139.321
flat angles C4'-P-C4' energy: -160.510
flat angles P-C4'-P energy: -103.419
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: 5, replica: 4
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1921.715191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.715191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.715191 (E_RNA)
where:
Base-Base interactions energy: -1252.957
where: short stacking energy: -545.657
Base-Backbone interact. energy: 0.704
local terms energy: -669.462135
where:
bonds (distance) C4'-P energy: -131.010
bonds (distance) P-C4' energy: -139.288
flat angles C4'-P-C4' energy: -140.199
flat angles P-C4'-P energy: -103.626
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: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1718.923321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.923321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.923321 (E_RNA)
where:
Base-Base interactions energy: -1090.193
where: short stacking energy: -496.169
Base-Backbone interact. energy: -1.836
local terms energy: -626.893857
where:
bonds (distance) C4'-P energy: -135.370
bonds (distance) P-C4' energy: -135.406
flat angles C4'-P-C4' energy: -148.371
flat angles P-C4'-P energy: -82.106
tors. eta vs tors. theta energy: -125.641
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: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1618.260473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.260473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.260473 (E_RNA)
where:
Base-Base interactions energy: -1020.363
where: short stacking energy: -430.030
Base-Backbone interact. energy: -2.713
local terms energy: -595.184564
where:
bonds (distance) C4'-P energy: -133.957
bonds (distance) P-C4' energy: -136.155
flat angles C4'-P-C4' energy: -144.250
flat angles P-C4'-P energy: -94.058
tors. eta vs tors. theta energy: -86.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1214.754220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.754220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.754220 (E_RNA)
where:
Base-Base interactions energy: -715.076
where: short stacking energy: -368.679
Base-Backbone interact. energy: -5.602
local terms energy: -494.076335
where:
bonds (distance) C4'-P energy: -120.242
bonds (distance) P-C4' energy: -128.476
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -68.684
tors. eta vs tors. theta energy: -59.380
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: 243
Temperature: 1.300000
Total energy: -915.762932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.762932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.762932 (E_RNA)
where:
Base-Base interactions energy: -511.068
where: short stacking energy: -264.577
Base-Backbone interact. energy: 0.753
local terms energy: -405.448105
where:
bonds (distance) C4'-P energy: -131.063
bonds (distance) P-C4' energy: -117.145
flat angles C4'-P-C4' energy: -99.542
flat angles P-C4'-P energy: -35.457
tors. eta vs tors. theta energy: -22.241
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: 10, replica: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -567.300992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.300992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.300992 (E_RNA)
where:
Base-Base interactions energy: -212.503
where: short stacking energy: -168.896
Base-Backbone interact. energy: 0.272
local terms energy: -355.069410
where:
bonds (distance) C4'-P energy: -125.976
bonds (distance) P-C4' energy: -125.253
flat angles C4'-P-C4' energy: -90.966
flat angles P-C4'-P energy: -43.878
tors. eta vs tors. theta energy: 31.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2716.093443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2716.093443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2716.093443 (E_RNA)
where:
Base-Base interactions energy: -1893.058
where: short stacking energy: -783.673
Base-Backbone interact. energy: -6.915
local terms energy: -816.120338
where:
bonds (distance) C4'-P energy: -136.186
bonds (distance) P-C4' energy: -136.725
flat angles C4'-P-C4' energy: -179.269
flat angles P-C4'-P energy: -122.926
tors. eta vs tors. theta energy: -241.014
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: 8
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2479.973152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.973152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.973152 (E_RNA)
where:
Base-Base interactions energy: -1715.477
where: short stacking energy: -688.302
Base-Backbone interact. energy: 1.746
local terms energy: -766.242968
where:
bonds (distance) C4'-P energy: -144.357
bonds (distance) P-C4' energy: -141.645
flat angles C4'-P-C4' energy: -166.161
flat angles P-C4'-P energy: -97.339
tors. eta vs tors. theta energy: -216.741
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: 244
Temperature: 1.000000
Total energy: -2443.204636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.204636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.204636 (E_RNA)
where:
Base-Base interactions energy: -1671.390
where: short stacking energy: -697.198
Base-Backbone interact. energy: -3.938
local terms energy: -767.877552
where:
bonds (distance) C4'-P energy: -149.734
bonds (distance) P-C4' energy: -134.452
flat angles C4'-P-C4' energy: -171.257
flat angles P-C4'-P energy: -109.474
tors. eta vs tors. theta energy: -202.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -2221.135793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.135793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.135793 (E_RNA)
where:
Base-Base interactions energy: -1498.472
where: short stacking energy: -590.722
Base-Backbone interact. energy: -3.725
local terms energy: -718.938764
where:
bonds (distance) C4'-P energy: -136.803
bonds (distance) P-C4' energy: -148.105
flat angles C4'-P-C4' energy: -153.545
flat angles P-C4'-P energy: -110.898
tors. eta vs tors. theta energy: -169.587
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1930.045590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.045590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.045590 (E_RNA)
where:
Base-Base interactions energy: -1249.882
where: short stacking energy: -537.397
Base-Backbone interact. energy: -5.284
local terms energy: -674.878814
where:
bonds (distance) C4'-P energy: -130.138
bonds (distance) P-C4' energy: -130.246
flat angles C4'-P-C4' energy: -148.271
flat angles P-C4'-P energy: -115.848
tors. eta vs tors. theta energy: -150.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1715.842538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.842538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.842538 (E_RNA)
where:
Base-Base interactions energy: -1092.408
where: short stacking energy: -479.738
Base-Backbone interact. energy: -3.811
local terms energy: -619.624273
where:
bonds (distance) C4'-P energy: -127.589
bonds (distance) P-C4' energy: -149.616
flat angles C4'-P-C4' energy: -128.173
flat angles P-C4'-P energy: -105.305
tors. eta vs tors. theta energy: -108.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1577.746551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.746551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.746551 (E_RNA)
where:
Base-Base interactions energy: -1023.837
where: short stacking energy: -432.917
Base-Backbone interact. energy: -1.485
local terms energy: -552.424264
where:
bonds (distance) C4'-P energy: -130.354
bonds (distance) P-C4' energy: -110.037
flat angles C4'-P-C4' energy: -152.546
flat angles P-C4'-P energy: -71.490
tors. eta vs tors. theta energy: -87.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1220.139664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.139664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.139664 (E_RNA)
where:
Base-Base interactions energy: -713.191
where: short stacking energy: -341.206
Base-Backbone interact. energy: -4.179
local terms energy: -502.769794
where:
bonds (distance) C4'-P energy: -133.043
bonds (distance) P-C4' energy: -120.336
flat angles C4'-P-C4' energy: -117.626
flat angles P-C4'-P energy: -68.965
tors. eta vs tors. theta energy: -62.800
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: 244
Temperature: 1.300000
Total energy: -976.700653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.700653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.700653 (E_RNA)
where:
Base-Base interactions energy: -522.311
where: short stacking energy: -287.565
Base-Backbone interact. energy: 2.813
local terms energy: -457.202585
where:
bonds (distance) C4'-P energy: -121.051
bonds (distance) P-C4' energy: -137.912
flat angles C4'-P-C4' energy: -110.474
flat angles P-C4'-P energy: -66.457
tors. eta vs tors. theta energy: -21.309
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: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -595.036638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.036638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.036638 (E_RNA)
where:
Base-Base interactions energy: -235.507
where: short stacking energy: -169.029
Base-Backbone interact. energy: -0.154
local terms energy: -359.375311
where:
bonds (distance) C4'-P energy: -116.608
bonds (distance) P-C4' energy: -127.942
flat angles C4'-P-C4' energy: -98.834
flat angles P-C4'-P energy: -53.715
tors. eta vs tors. theta energy: 37.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2700.268536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.268536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.268536 (E_RNA)
where:
Base-Base interactions energy: -1877.285
where: short stacking energy: -766.537
Base-Backbone interact. energy: -1.065
local terms energy: -821.917768
where:
bonds (distance) C4'-P energy: -147.586
bonds (distance) P-C4' energy: -149.344
flat angles C4'-P-C4' energy: -175.454
flat angles P-C4'-P energy: -113.209
tors. eta vs tors. theta energy: -236.325
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: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -2493.051277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.051277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.051277 (E_RNA)
where:
Base-Base interactions energy: -1724.850
where: short stacking energy: -708.674
Base-Backbone interact. energy: -3.254
local terms energy: -764.947354
where:
bonds (distance) C4'-P energy: -129.947
bonds (distance) P-C4' energy: -167.307
flat angles C4'-P-C4' energy: -158.914
flat angles P-C4'-P energy: -107.336
tors. eta vs tors. theta energy: -201.444
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: 245
Temperature: 1.000000
Total energy: -2417.929150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2417.929150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2417.929150 (E_RNA)
where:
Base-Base interactions energy: -1659.401
where: short stacking energy: -665.988
Base-Backbone interact. energy: -3.080
local terms energy: -755.448266
where:
bonds (distance) C4'-P energy: -123.607
bonds (distance) P-C4' energy: -142.426
flat angles C4'-P-C4' energy: -169.214
flat angles P-C4'-P energy: -108.675
tors. eta vs tors. theta energy: -211.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -2239.388646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.388646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.388646 (E_RNA)
where:
Base-Base interactions energy: -1538.587
where: short stacking energy: -664.870
Base-Backbone interact. energy: -0.666
local terms energy: -700.135087
where:
bonds (distance) C4'-P energy: -118.988
bonds (distance) P-C4' energy: -148.445
flat angles C4'-P-C4' energy: -158.138
flat angles P-C4'-P energy: -92.562
tors. eta vs tors. theta energy: -182.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1857.905461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.905461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.905461 (E_RNA)
where:
Base-Base interactions energy: -1217.296
where: short stacking energy: -533.494
Base-Backbone interact. energy: -1.620
local terms energy: -638.989445
where:
bonds (distance) C4'-P energy: -135.359
bonds (distance) P-C4' energy: -129.676
flat angles C4'-P-C4' energy: -154.754
flat angles P-C4'-P energy: -88.845
tors. eta vs tors. theta energy: -130.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1781.461391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.461391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.461391 (E_RNA)
where:
Base-Base interactions energy: -1146.246
where: short stacking energy: -505.138
Base-Backbone interact. energy: 0.439
local terms energy: -635.654923
where:
bonds (distance) C4'-P energy: -144.664
bonds (distance) P-C4' energy: -144.264
flat angles C4'-P-C4' energy: -137.854
flat angles P-C4'-P energy: -91.527
tors. eta vs tors. theta energy: -117.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1504.776745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.776745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.776745 (E_RNA)
where:
Base-Base interactions energy: -944.003
where: short stacking energy: -446.148
Base-Backbone interact. energy: -0.695
local terms energy: -560.078380
where:
bonds (distance) C4'-P energy: -118.461
bonds (distance) P-C4' energy: -142.369
flat angles C4'-P-C4' energy: -148.240
flat angles P-C4'-P energy: -68.539
tors. eta vs tors. theta energy: -82.469
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1255.589730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.589730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.589730 (E_RNA)
where:
Base-Base interactions energy: -755.003
where: short stacking energy: -362.466
Base-Backbone interact. energy: -0.791
local terms energy: -499.795731
where:
bonds (distance) C4'-P energy: -128.351
bonds (distance) P-C4' energy: -127.395
flat angles C4'-P-C4' energy: -111.146
flat angles P-C4'-P energy: -72.459
tors. eta vs tors. theta energy: -60.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -982.626024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.626024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.626024 (E_RNA)
where:
Base-Base interactions energy: -531.426
where: short stacking energy: -270.103
Base-Backbone interact. energy: -2.456
local terms energy: -448.744295
where:
bonds (distance) C4'-P energy: -132.599
bonds (distance) P-C4' energy: -103.640
flat angles C4'-P-C4' energy: -125.370
flat angles P-C4'-P energy: -61.722
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -561.383840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.383840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.383840 (E_RNA)
where:
Base-Base interactions energy: -178.360
where: short stacking energy: -137.323
Base-Backbone interact. energy: -2.712
local terms energy: -380.311790
where:
bonds (distance) C4'-P energy: -118.443
bonds (distance) P-C4' energy: -117.942
flat angles C4'-P-C4' energy: -95.992
flat angles P-C4'-P energy: -70.516
tors. eta vs tors. theta energy: 22.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2705.240266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2705.240266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2705.240266 (E_RNA)
where:
Base-Base interactions energy: -1882.873
where: short stacking energy: -780.788
Base-Backbone interact. energy: -0.847
local terms energy: -821.519818
where:
bonds (distance) C4'-P energy: -150.532
bonds (distance) P-C4' energy: -159.292
flat angles C4'-P-C4' energy: -174.241
flat angles P-C4'-P energy: -107.456
tors. eta vs tors. theta energy: -229.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2485.572044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2485.572044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2485.572044 (E_RNA)
where:
Base-Base interactions energy: -1737.890
where: short stacking energy: -706.079
Base-Backbone interact. energy: -3.197
local terms energy: -744.485715
where:
bonds (distance) C4'-P energy: -125.593
bonds (distance) P-C4' energy: -138.992
flat angles C4'-P-C4' energy: -174.965
flat angles P-C4'-P energy: -98.504
tors. eta vs tors. theta energy: -206.431
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: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -2427.307474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.307474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.307474 (E_RNA)
where:
Base-Base interactions energy: -1667.166
where: short stacking energy: -666.254
Base-Backbone interact. energy: -3.768
local terms energy: -756.372644
where:
bonds (distance) C4'-P energy: -157.371
bonds (distance) P-C4' energy: -153.683
flat angles C4'-P-C4' energy: -149.937
flat angles P-C4'-P energy: -99.971
tors. eta vs tors. theta energy: -195.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -2220.241248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.241248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.241248 (E_RNA)
where:
Base-Base interactions energy: -1500.387
where: short stacking energy: -613.863
Base-Backbone interact. energy: 4.628
local terms energy: -724.482291
where:
bonds (distance) C4'-P energy: -129.471
bonds (distance) P-C4' energy: -150.302
flat angles C4'-P-C4' energy: -159.679
flat angles P-C4'-P energy: -109.316
tors. eta vs tors. theta energy: -175.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1934.557207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.557207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.557207 (E_RNA)
where:
Base-Base interactions energy: -1267.527
where: short stacking energy: -553.786
Base-Backbone interact. energy: -3.233
local terms energy: -663.797441
where:
bonds (distance) C4'-P energy: -127.846
bonds (distance) P-C4' energy: -151.504
flat angles C4'-P-C4' energy: -148.367
flat angles P-C4'-P energy: -91.981
tors. eta vs tors. theta energy: -144.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1789.092117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.092117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.092117 (E_RNA)
where:
Base-Base interactions energy: -1167.674
where: short stacking energy: -517.771
Base-Backbone interact. energy: -4.125
local terms energy: -617.293351
where:
bonds (distance) C4'-P energy: -128.038
bonds (distance) P-C4' energy: -141.106
flat angles C4'-P-C4' energy: -146.334
flat angles P-C4'-P energy: -86.746
tors. eta vs tors. theta energy: -115.069
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: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1584.262915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.262915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.262915 (E_RNA)
where:
Base-Base interactions energy: -1039.828
where: short stacking energy: -470.347
Base-Backbone interact. energy: -0.511
local terms energy: -543.924323
where:
bonds (distance) C4'-P energy: -118.094
bonds (distance) P-C4' energy: -121.644
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -57.800
tors. eta vs tors. theta energy: -109.447
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: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1226.634677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.634677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.634677 (E_RNA)
where:
Base-Base interactions energy: -728.823
where: short stacking energy: -337.265
Base-Backbone interact. energy: -3.673
local terms energy: -494.139078
where:
bonds (distance) C4'-P energy: -103.158
bonds (distance) P-C4' energy: -131.079
flat angles C4'-P-C4' energy: -115.374
flat angles P-C4'-P energy: -78.558
tors. eta vs tors. theta energy: -65.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -973.265425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.265425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.265425 (E_RNA)
where:
Base-Base interactions energy: -511.937
where: short stacking energy: -243.577
Base-Backbone interact. energy: 7.478
local terms energy: -468.806035
where:
bonds (distance) C4'-P energy: -111.498
bonds (distance) P-C4' energy: -127.304
flat angles C4'-P-C4' energy: -124.594
flat angles P-C4'-P energy: -94.184
tors. eta vs tors. theta energy: -11.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -574.641535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.641535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.641535 (E_RNA)
where:
Base-Base interactions energy: -201.714
where: short stacking energy: -120.537
Base-Backbone interact. energy: -4.040
local terms energy: -368.886753
where:
bonds (distance) C4'-P energy: -99.376
bonds (distance) P-C4' energy: -130.132
flat angles C4'-P-C4' energy: -99.899
flat angles P-C4'-P energy: -82.902
tors. eta vs tors. theta energy: 43.422
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: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2676.475839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.475839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.475839 (E_RNA)
where:
Base-Base interactions energy: -1857.195
where: short stacking energy: -737.440
Base-Backbone interact. energy: 1.229
local terms energy: -820.509874
where:
bonds (distance) C4'-P energy: -162.698
bonds (distance) P-C4' energy: -153.670
flat angles C4'-P-C4' energy: -166.211
flat angles P-C4'-P energy: -116.716
tors. eta vs tors. theta energy: -221.214
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: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -2496.789825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2496.789825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2496.789825 (E_RNA)
where:
Base-Base interactions energy: -1720.620
where: short stacking energy: -697.212
Base-Backbone interact. energy: 2.705
local terms energy: -778.875059
where:
bonds (distance) C4'-P energy: -151.482
bonds (distance) P-C4' energy: -141.112
flat angles C4'-P-C4' energy: -166.694
flat angles P-C4'-P energy: -110.612
tors. eta vs tors. theta energy: -208.976
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: 3, replica: 9
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -2410.110556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.110556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.110556 (E_RNA)
where:
Base-Base interactions energy: -1631.692
where: short stacking energy: -680.529
Base-Backbone interact. energy: -4.521
local terms energy: -773.897158
where:
bonds (distance) C4'-P energy: -147.016
bonds (distance) P-C4' energy: -152.588
flat angles C4'-P-C4' energy: -169.282
flat angles P-C4'-P energy: -108.770
tors. eta vs tors. theta energy: -196.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -2246.042482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.042482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.042482 (E_RNA)
where:
Base-Base interactions energy: -1557.626
where: short stacking energy: -649.926
Base-Backbone interact. energy: -4.613
local terms energy: -683.803713
where:
bonds (distance) C4'-P energy: -123.250
bonds (distance) P-C4' energy: -132.080
flat angles C4'-P-C4' energy: -156.130
flat angles P-C4'-P energy: -84.635
tors. eta vs tors. theta energy: -187.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1963.036389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.036389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.036389 (E_RNA)
where:
Base-Base interactions energy: -1310.906
where: short stacking energy: -553.658
Base-Backbone interact. energy: -0.963
local terms energy: -651.167948
where:
bonds (distance) C4'-P energy: -127.939
bonds (distance) P-C4' energy: -142.137
flat angles C4'-P-C4' energy: -146.285
flat angles P-C4'-P energy: -94.773
tors. eta vs tors. theta energy: -140.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1747.782078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.782078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.782078 (E_RNA)
where:
Base-Base interactions energy: -1137.977
where: short stacking energy: -495.569
Base-Backbone interact. energy: 0.687
local terms energy: -610.492152
where:
bonds (distance) C4'-P energy: -125.121
bonds (distance) P-C4' energy: -126.032
flat angles C4'-P-C4' energy: -134.648
flat angles P-C4'-P energy: -99.903
tors. eta vs tors. theta energy: -124.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1608.564368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.564368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.564368 (E_RNA)
where:
Base-Base interactions energy: -1014.363
where: short stacking energy: -452.071
Base-Backbone interact. energy: -0.321
local terms energy: -593.880509
where:
bonds (distance) C4'-P energy: -129.224
bonds (distance) P-C4' energy: -125.364
flat angles C4'-P-C4' energy: -133.360
flat angles P-C4'-P energy: -102.681
tors. eta vs tors. theta energy: -103.251
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: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1228.186888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.186888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.186888 (E_RNA)
where:
Base-Base interactions energy: -727.597
where: short stacking energy: -326.029
Base-Backbone interact. energy: -1.474
local terms energy: -499.115267
where:
bonds (distance) C4'-P energy: -126.458
bonds (distance) P-C4' energy: -131.714
flat angles C4'-P-C4' energy: -115.977
flat angles P-C4'-P energy: -76.999
tors. eta vs tors. theta energy: -47.966
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: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -973.649542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.649542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.649542 (E_RNA)
where:
Base-Base interactions energy: -518.804
where: short stacking energy: -259.001
Base-Backbone interact. energy: 5.621
local terms energy: -460.466317
where:
bonds (distance) C4'-P energy: -128.657
bonds (distance) P-C4' energy: -124.795
flat angles C4'-P-C4' energy: -110.348
flat angles P-C4'-P energy: -67.554
tors. eta vs tors. theta energy: -29.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -576.803619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.803619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.803619 (E_RNA)
where:
Base-Base interactions energy: -195.574
where: short stacking energy: -132.843
Base-Backbone interact. energy: -0.611
local terms energy: -380.619181
where:
bonds (distance) C4'-P energy: -115.627
bonds (distance) P-C4' energy: -138.648
flat angles C4'-P-C4' energy: -109.142
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: 25.451
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: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2707.390150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.390150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.390150 (E_RNA)
where:
Base-Base interactions energy: -1909.305
where: short stacking energy: -787.715
Base-Backbone interact. energy: -1.993
local terms energy: -796.091875
where:
bonds (distance) C4'-P energy: -142.825
bonds (distance) P-C4' energy: -143.712
flat angles C4'-P-C4' energy: -167.809
flat angles P-C4'-P energy: -108.840
tors. eta vs tors. theta energy: -232.906
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: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -2513.773006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.773006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.773006 (E_RNA)
where:
Base-Base interactions energy: -1715.568
where: short stacking energy: -716.358
Base-Backbone interact. energy: -2.502
local terms energy: -795.703179
where:
bonds (distance) C4'-P energy: -143.702
bonds (distance) P-C4' energy: -154.194
flat angles C4'-P-C4' energy: -162.976
flat angles P-C4'-P energy: -105.757
tors. eta vs tors. theta energy: -229.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -2430.459500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2430.459500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2430.459500 (E_RNA)
where:
Base-Base interactions energy: -1683.399
where: short stacking energy: -672.874
Base-Backbone interact. energy: -1.636
local terms energy: -745.424473
where:
bonds (distance) C4'-P energy: -121.917
bonds (distance) P-C4' energy: -160.568
flat angles C4'-P-C4' energy: -164.850
flat angles P-C4'-P energy: -102.289
tors. eta vs tors. theta energy: -195.802
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: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -2229.412309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.412309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.412309 (E_RNA)
where:
Base-Base interactions energy: -1515.383
where: short stacking energy: -643.732
Base-Backbone interact. energy: -1.762
local terms energy: -712.267413
where:
bonds (distance) C4'-P energy: -132.358
bonds (distance) P-C4' energy: -140.030
flat angles C4'-P-C4' energy: -160.203
flat angles P-C4'-P energy: -97.861
tors. eta vs tors. theta energy: -181.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1898.928457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.928457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.928457 (E_RNA)
where:
Base-Base interactions energy: -1255.568
where: short stacking energy: -556.591
Base-Backbone interact. energy: -1.737
local terms energy: -641.623349
where:
bonds (distance) C4'-P energy: -122.655
bonds (distance) P-C4' energy: -130.623
flat angles C4'-P-C4' energy: -143.476
flat angles P-C4'-P energy: -100.089
tors. eta vs tors. theta energy: -144.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1740.422283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.422283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.422283 (E_RNA)
where:
Base-Base interactions energy: -1150.904
where: short stacking energy: -518.467
Base-Backbone interact. energy: 0.474
local terms energy: -589.991914
where:
bonds (distance) C4'-P energy: -103.548
bonds (distance) P-C4' energy: -129.170
flat angles C4'-P-C4' energy: -139.379
flat angles P-C4'-P energy: -87.677
tors. eta vs tors. theta energy: -130.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1552.126985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.126985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.126985 (E_RNA)
where:
Base-Base interactions energy: -977.248
where: short stacking energy: -398.411
Base-Backbone interact. energy: -0.410
local terms energy: -574.469417
where:
bonds (distance) C4'-P energy: -141.427
bonds (distance) P-C4' energy: -148.301
flat angles C4'-P-C4' energy: -124.502
flat angles P-C4'-P energy: -68.769
tors. eta vs tors. theta energy: -91.471
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: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1187.320778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.320778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.320778 (E_RNA)
where:
Base-Base interactions energy: -736.249
where: short stacking energy: -341.222
Base-Backbone interact. energy: -4.126
local terms energy: -446.946403
where:
bonds (distance) C4'-P energy: -112.951
bonds (distance) P-C4' energy: -118.902
flat angles C4'-P-C4' energy: -115.143
flat angles P-C4'-P energy: -62.569
tors. eta vs tors. theta energy: -37.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -997.944003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.944003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.944003 (E_RNA)
where:
Base-Base interactions energy: -525.113
where: short stacking energy: -272.829
Base-Backbone interact. energy: 0.656
local terms energy: -473.486350
where:
bonds (distance) C4'-P energy: -114.142
bonds (distance) P-C4' energy: -135.156
flat angles C4'-P-C4' energy: -132.046
flat angles P-C4'-P energy: -66.187
tors. eta vs tors. theta energy: -25.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -536.454357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.454357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.454357 (E_RNA)
where:
Base-Base interactions energy: -184.689
where: short stacking energy: -157.335
Base-Backbone interact. energy: 5.699
local terms energy: -357.463928
where:
bonds (distance) C4'-P energy: -124.657
bonds (distance) P-C4' energy: -125.123
flat angles C4'-P-C4' energy: -98.771
flat angles P-C4'-P energy: -48.227
tors. eta vs tors. theta energy: 39.314
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: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2719.788073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.788073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.788073 (E_RNA)
where:
Base-Base interactions energy: -1880.157
where: short stacking energy: -786.439
Base-Backbone interact. energy: -5.789
local terms energy: -833.842489
where:
bonds (distance) C4'-P energy: -133.696
bonds (distance) P-C4' energy: -153.718
flat angles C4'-P-C4' energy: -176.559
flat angles P-C4'-P energy: -123.491
tors. eta vs tors. theta energy: -246.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2545.292244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2545.292244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2545.292244 (E_RNA)
where:
Base-Base interactions energy: -1752.603
where: short stacking energy: -729.054
Base-Backbone interact. energy: -4.156
local terms energy: -788.533657
where:
bonds (distance) C4'-P energy: -140.625
bonds (distance) P-C4' energy: -153.618
flat angles C4'-P-C4' energy: -171.327
flat angles P-C4'-P energy: -104.287
tors. eta vs tors. theta energy: -218.677
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: 249
Temperature: 1.000000
Total energy: -2356.936875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.936875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.936875 (E_RNA)
where:
Base-Base interactions energy: -1594.226
where: short stacking energy: -662.552
Base-Backbone interact. energy: -5.218
local terms energy: -757.493380
where:
bonds (distance) C4'-P energy: -139.164
bonds (distance) P-C4' energy: -157.752
flat angles C4'-P-C4' energy: -159.823
flat angles P-C4'-P energy: -102.839
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: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -2246.349538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2246.349538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2246.349538 (E_RNA)
where:
Base-Base interactions energy: -1493.611
where: short stacking energy: -663.880
Base-Backbone interact. energy: -3.770
local terms energy: -748.967850
where:
bonds (distance) C4'-P energy: -146.708
bonds (distance) P-C4' energy: -149.055
flat angles C4'-P-C4' energy: -153.729
flat angles P-C4'-P energy: -111.451
tors. eta vs tors. theta energy: -188.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1890.934115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.934115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.934115 (E_RNA)
where:
Base-Base interactions energy: -1232.570
where: short stacking energy: -547.415
Base-Backbone interact. energy: -2.282
local terms energy: -656.082397
where:
bonds (distance) C4'-P energy: -126.889
bonds (distance) P-C4' energy: -143.914
flat angles C4'-P-C4' energy: -149.270
flat angles P-C4'-P energy: -93.878
tors. eta vs tors. theta energy: -142.131
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: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1695.660689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.660689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.660689 (E_RNA)
where:
Base-Base interactions energy: -1080.451
where: short stacking energy: -479.630
Base-Backbone interact. energy: -1.861
local terms energy: -613.348812
where:
bonds (distance) C4'-P energy: -136.473
bonds (distance) P-C4' energy: -143.997
flat angles C4'-P-C4' energy: -145.172
flat angles P-C4'-P energy: -66.197
tors. eta vs tors. theta energy: -121.509
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: 5
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1598.402618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.402618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.402618 (E_RNA)
where:
Base-Base interactions energy: -1024.732
where: short stacking energy: -429.048
Base-Backbone interact. energy: 1.669
local terms energy: -575.339613
where:
bonds (distance) C4'-P energy: -137.864
bonds (distance) P-C4' energy: -132.833
flat angles C4'-P-C4' energy: -131.635
flat angles P-C4'-P energy: -75.148
tors. eta vs tors. theta energy: -97.861
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: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1172.796722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.796722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.796722 (E_RNA)
where:
Base-Base interactions energy: -680.706
where: short stacking energy: -329.595
Base-Backbone interact. energy: 2.302
local terms energy: -494.393077
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -135.113
flat angles C4'-P-C4' energy: -127.352
flat angles P-C4'-P energy: -83.021
tors. eta vs tors. theta energy: -39.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1100.805663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.805663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.805663 (E_RNA)
where:
Base-Base interactions energy: -583.150
where: short stacking energy: -295.852
Base-Backbone interact. energy: -2.587
local terms energy: -515.068443
where:
bonds (distance) C4'-P energy: -120.765
bonds (distance) P-C4' energy: -129.905
flat angles C4'-P-C4' energy: -125.581
flat angles P-C4'-P energy: -84.253
tors. eta vs tors. theta energy: -54.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -581.613378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.613378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.613378 (E_RNA)
where:
Base-Base interactions energy: -199.250
where: short stacking energy: -131.373
Base-Backbone interact. energy: 5.136
local terms energy: -387.499784
where:
bonds (distance) C4'-P energy: -131.098
bonds (distance) P-C4' energy: -113.193
flat angles C4'-P-C4' energy: -100.152
flat angles P-C4'-P energy: -87.127
tors. eta vs tors. theta energy: 44.070
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: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2729.135764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.135764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.135764 (E_RNA)
where:
Base-Base interactions energy: -1889.877
where: short stacking energy: -775.056
Base-Backbone interact. energy: -3.958
local terms energy: -835.301525
where:
bonds (distance) C4'-P energy: -156.789
bonds (distance) P-C4' energy: -139.278
flat angles C4'-P-C4' energy: -175.183
flat angles P-C4'-P energy: -128.201
tors. eta vs tors. theta energy: -235.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -2583.376056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.376056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.376056 (E_RNA)
where:
Base-Base interactions energy: -1785.519
where: short stacking energy: -705.449
Base-Backbone interact. energy: -4.404
local terms energy: -793.452208
where:
bonds (distance) C4'-P energy: -133.794
bonds (distance) P-C4' energy: -160.445
flat angles C4'-P-C4' energy: -168.520
flat angles P-C4'-P energy: -113.808
tors. eta vs tors. theta energy: -216.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -2363.146756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.146756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.146756 (E_RNA)
where:
Base-Base interactions energy: -1635.194
where: short stacking energy: -680.041
Base-Backbone interact. energy: -3.188
local terms energy: -724.764701
where:
bonds (distance) C4'-P energy: -143.060
bonds (distance) P-C4' energy: -132.390
flat angles C4'-P-C4' energy: -155.095
flat angles P-C4'-P energy: -93.886
tors. eta vs tors. theta energy: -200.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -2191.174172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.174172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.174172 (E_RNA)
where:
Base-Base interactions energy: -1514.997
where: short stacking energy: -626.663
Base-Backbone interact. energy: -4.801
local terms energy: -671.375538
where:
bonds (distance) C4'-P energy: -125.029
bonds (distance) P-C4' energy: -127.250
flat angles C4'-P-C4' energy: -156.194
flat angles P-C4'-P energy: -93.734
tors. eta vs tors. theta energy: -169.168
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: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1974.837814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.837814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.837814 (E_RNA)
where:
Base-Base interactions energy: -1296.087
where: short stacking energy: -549.374
Base-Backbone interact. energy: -0.863
local terms energy: -677.887586
where:
bonds (distance) C4'-P energy: -120.594
bonds (distance) P-C4' energy: -161.146
flat angles C4'-P-C4' energy: -157.913
flat angles P-C4'-P energy: -87.186
tors. eta vs tors. theta energy: -151.049
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: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1718.411891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.411891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.411891 (E_RNA)
where:
Base-Base interactions energy: -1086.765
where: short stacking energy: -480.239
Base-Backbone interact. energy: -2.455
local terms energy: -629.192012
where:
bonds (distance) C4'-P energy: -142.552
bonds (distance) P-C4' energy: -153.240
flat angles C4'-P-C4' energy: -137.041
flat angles P-C4'-P energy: -79.554
tors. eta vs tors. theta energy: -116.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1598.116238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.116238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.116238 (E_RNA)
where:
Base-Base interactions energy: -1016.479
where: short stacking energy: -431.469
Base-Backbone interact. energy: -1.200
local terms energy: -580.436608
where:
bonds (distance) C4'-P energy: -117.171
bonds (distance) P-C4' energy: -129.251
flat angles C4'-P-C4' energy: -146.027
flat angles P-C4'-P energy: -84.729
tors. eta vs tors. theta energy: -103.259
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: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1217.546364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.546364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.546364 (E_RNA)
where:
Base-Base interactions energy: -687.374
where: short stacking energy: -330.004
Base-Backbone interact. energy: -1.199
local terms energy: -528.973055
where:
bonds (distance) C4'-P energy: -127.133
bonds (distance) P-C4' energy: -127.495
flat angles C4'-P-C4' energy: -121.111
flat angles P-C4'-P energy: -81.375
tors. eta vs tors. theta energy: -71.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1189.068269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.068269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.068269 (E_RNA)
where:
Base-Base interactions energy: -682.621
where: short stacking energy: -315.590
Base-Backbone interact. energy: -1.012
local terms energy: -505.435637
where:
bonds (distance) C4'-P energy: -131.251
bonds (distance) P-C4' energy: -120.806
flat angles C4'-P-C4' energy: -129.299
flat angles P-C4'-P energy: -75.607
tors. eta vs tors. theta energy: -48.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -551.213240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.213240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.213240 (E_RNA)
where:
Base-Base interactions energy: -174.816
where: short stacking energy: -143.340
Base-Backbone interact. energy: 4.129
local terms energy: -380.526820
where:
bonds (distance) C4'-P energy: -118.203
bonds (distance) P-C4' energy: -125.214
flat angles C4'-P-C4' energy: -104.946
flat angles P-C4'-P energy: -63.633
tors. eta vs tors. theta energy: 31.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2701.098777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.098777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.098777 (E_RNA)
where:
Base-Base interactions energy: -1862.823
where: short stacking energy: -762.938
Base-Backbone interact. energy: -2.999
local terms energy: -835.276388
where:
bonds (distance) C4'-P energy: -163.122
bonds (distance) P-C4' energy: -149.365
flat angles C4'-P-C4' energy: -166.221
flat angles P-C4'-P energy: -117.050
tors. eta vs tors. theta energy: -239.519
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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -2568.397759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.397759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.397759 (E_RNA)
where:
Base-Base interactions energy: -1760.299
where: short stacking energy: -716.592
Base-Backbone interact. energy: -1.975
local terms energy: -806.124092
where:
bonds (distance) C4'-P energy: -142.695
bonds (distance) P-C4' energy: -144.948
flat angles C4'-P-C4' energy: -171.489
flat angles P-C4'-P energy: -122.249
tors. eta vs tors. theta energy: -224.743
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: 9
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -2354.139254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.139254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.139254 (E_RNA)
where:
Base-Base interactions energy: -1604.669
where: short stacking energy: -677.845
Base-Backbone interact. energy: -3.926
local terms energy: -745.544002
where:
bonds (distance) C4'-P energy: -138.960
bonds (distance) P-C4' energy: -151.148
flat angles C4'-P-C4' energy: -161.674
flat angles P-C4'-P energy: -108.497
tors. eta vs tors. theta energy: -185.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -2215.949937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.949937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.949937 (E_RNA)
where:
Base-Base interactions energy: -1525.553
where: short stacking energy: -626.387
Base-Backbone interact. energy: 0.683
local terms energy: -691.079880
where:
bonds (distance) C4'-P energy: -135.025
bonds (distance) P-C4' energy: -139.961
flat angles C4'-P-C4' energy: -155.187
flat angles P-C4'-P energy: -89.210
tors. eta vs tors. theta energy: -171.698
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: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1934.811625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.811625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.811625 (E_RNA)
where:
Base-Base interactions energy: -1252.498
where: short stacking energy: -555.935
Base-Backbone interact. energy: -5.045
local terms energy: -677.269330
where:
bonds (distance) C4'-P energy: -155.336
bonds (distance) P-C4' energy: -134.283
flat angles C4'-P-C4' energy: -152.580
flat angles P-C4'-P energy: -84.348
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: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1766.586968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.586968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.586968 (E_RNA)
where:
Base-Base interactions energy: -1152.694
where: short stacking energy: -507.829
Base-Backbone interact. energy: -0.025
local terms energy: -613.867380
where:
bonds (distance) C4'-P energy: -134.746
bonds (distance) P-C4' energy: -132.755
flat angles C4'-P-C4' energy: -129.754
flat angles P-C4'-P energy: -100.853
tors. eta vs tors. theta energy: -115.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1568.126955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.126955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.126955 (E_RNA)
where:
Base-Base interactions energy: -1008.947
where: short stacking energy: -442.384
Base-Backbone interact. energy: -0.307
local terms energy: -558.872995
where:
bonds (distance) C4'-P energy: -120.146
bonds (distance) P-C4' energy: -111.807
flat angles C4'-P-C4' energy: -141.995
flat angles P-C4'-P energy: -82.711
tors. eta vs tors. theta energy: -102.214
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: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1243.105939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.105939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.105939 (E_RNA)
where:
Base-Base interactions energy: -746.906
where: short stacking energy: -357.288
Base-Backbone interact. energy: -2.226
local terms energy: -493.973621
where:
bonds (distance) C4'-P energy: -133.217
bonds (distance) P-C4' energy: -115.090
flat angles C4'-P-C4' energy: -128.937
flat angles P-C4'-P energy: -69.426
tors. eta vs tors. theta energy: -47.303
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: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1179.264103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.264103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.264103 (E_RNA)
where:
Base-Base interactions energy: -716.063
where: short stacking energy: -319.872
Base-Backbone interact. energy: 4.182
local terms energy: -467.382860
where:
bonds (distance) C4'-P energy: -116.542
bonds (distance) P-C4' energy: -121.146
flat angles C4'-P-C4' energy: -121.972
flat angles P-C4'-P energy: -88.139
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -605.959587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.959587 (E_RNA)
where:
Base-Base interactions energy: -233.118
where: short stacking energy: -176.653
Base-Backbone interact. energy: 4.527
local terms energy: -377.368351
where:
bonds (distance) C4'-P energy: -112.265
bonds (distance) P-C4' energy: -129.374
flat angles C4'-P-C4' energy: -108.315
flat angles P-C4'-P energy: -46.817
tors. eta vs tors. theta energy: 19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2699.798512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.798512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.798512 (E_RNA)
where:
Base-Base interactions energy: -1879.381
where: short stacking energy: -797.035
Base-Backbone interact. energy: -5.043
local terms energy: -815.373945
where:
bonds (distance) C4'-P energy: -139.459
bonds (distance) P-C4' energy: -148.104
flat angles C4'-P-C4' energy: -171.938
flat angles P-C4'-P energy: -116.005
tors. eta vs tors. theta energy: -239.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -2558.657566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.657566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.657566 (E_RNA)
where:
Base-Base interactions energy: -1759.366
where: short stacking energy: -696.486
Base-Backbone interact. energy: -5.564
local terms energy: -793.727718
where:
bonds (distance) C4'-P energy: -154.258
bonds (distance) P-C4' energy: -143.639
flat angles C4'-P-C4' energy: -174.926
flat angles P-C4'-P energy: -115.665
tors. eta vs tors. theta energy: -205.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -2350.480289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.480289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.480289 (E_RNA)
where:
Base-Base interactions energy: -1627.572
where: short stacking energy: -658.742
Base-Backbone interact. energy: -0.548
local terms energy: -722.359895
where:
bonds (distance) C4'-P energy: -138.029
bonds (distance) P-C4' energy: -142.353
flat angles C4'-P-C4' energy: -166.771
flat angles P-C4'-P energy: -90.952
tors. eta vs tors. theta energy: -184.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -2211.120928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2211.120928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2211.120928 (E_RNA)
where:
Base-Base interactions energy: -1528.654
where: short stacking energy: -640.099
Base-Backbone interact. energy: -0.277
local terms energy: -682.189685
where:
bonds (distance) C4'-P energy: -129.680
bonds (distance) P-C4' energy: -134.273
flat angles C4'-P-C4' energy: -141.206
flat angles P-C4'-P energy: -91.600
tors. eta vs tors. theta energy: -185.430
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: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1933.085358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.085358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.085358 (E_RNA)
where:
Base-Base interactions energy: -1275.332
where: short stacking energy: -568.069
Base-Backbone interact. energy: -2.577
local terms energy: -655.175748
where:
bonds (distance) C4'-P energy: -126.790
bonds (distance) P-C4' energy: -113.688
flat angles C4'-P-C4' energy: -153.334
flat angles P-C4'-P energy: -93.764
tors. eta vs tors. theta energy: -167.600
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: 6, replica: 10
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1731.952474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.952474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.952474 (E_RNA)
where:
Base-Base interactions energy: -1113.815
where: short stacking energy: -482.082
Base-Backbone interact. energy: -0.681
local terms energy: -617.455993
where:
bonds (distance) C4'-P energy: -132.989
bonds (distance) P-C4' energy: -127.190
flat angles C4'-P-C4' energy: -155.235
flat angles P-C4'-P energy: -84.168
tors. eta vs tors. theta energy: -117.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1633.322787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.322787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.322787 (E_RNA)
where:
Base-Base interactions energy: -1079.870
where: short stacking energy: -474.056
Base-Backbone interact. energy: -1.141
local terms energy: -552.311631
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -107.396
flat angles C4'-P-C4' energy: -144.788
flat angles P-C4'-P energy: -78.755
tors. eta vs tors. theta energy: -111.365
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: 7
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1231.700372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.700372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.700372 (E_RNA)
where:
Base-Base interactions energy: -735.529
where: short stacking energy: -360.672
Base-Backbone interact. energy: 1.331
local terms energy: -497.502970
where:
bonds (distance) C4'-P energy: -97.251
bonds (distance) P-C4' energy: -132.260
flat angles C4'-P-C4' energy: -132.078
flat angles P-C4'-P energy: -76.817
tors. eta vs tors. theta energy: -59.097
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: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1190.881027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.881027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.881027 (E_RNA)
where:
Base-Base interactions energy: -762.223
where: short stacking energy: -334.144
Base-Backbone interact. energy: 0.444
local terms energy: -429.101650
where:
bonds (distance) C4'-P energy: -91.908
bonds (distance) P-C4' energy: -107.791
flat angles C4'-P-C4' energy: -110.786
flat angles P-C4'-P energy: -77.563
tors. eta vs tors. theta energy: -41.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -563.008308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.008308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.008308 (E_RNA)
where:
Base-Base interactions energy: -175.734
where: short stacking energy: -167.125
Base-Backbone interact. energy: 1.389
local terms energy: -388.664038
where:
bonds (distance) C4'-P energy: -99.485
bonds (distance) P-C4' energy: -125.969
flat angles C4'-P-C4' energy: -106.993
flat angles P-C4'-P energy: -60.552
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: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2695.639073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.639073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.639073 (E_RNA)
where:
Base-Base interactions energy: -1874.349
where: short stacking energy: -804.284
Base-Backbone interact. energy: -5.304
local terms energy: -815.986558
where:
bonds (distance) C4'-P energy: -139.359
bonds (distance) P-C4' energy: -152.027
flat angles C4'-P-C4' energy: -171.253
flat angles P-C4'-P energy: -113.907
tors. eta vs tors. theta energy: -239.440
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: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2544.599096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.599096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.599096 (E_RNA)
where:
Base-Base interactions energy: -1774.800
where: short stacking energy: -734.550
Base-Backbone interact. energy: -1.696
local terms energy: -768.103716
where:
bonds (distance) C4'-P energy: -142.975
bonds (distance) P-C4' energy: -142.515
flat angles C4'-P-C4' energy: -160.686
flat angles P-C4'-P energy: -101.086
tors. eta vs tors. theta energy: -220.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -2372.249795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2372.249795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2372.249795 (E_RNA)
where:
Base-Base interactions energy: -1625.371
where: short stacking energy: -685.895
Base-Backbone interact. energy: -0.095
local terms energy: -746.783771
where:
bonds (distance) C4'-P energy: -128.538
bonds (distance) P-C4' energy: -141.090
flat angles C4'-P-C4' energy: -165.860
flat angles P-C4'-P energy: -105.142
tors. eta vs tors. theta energy: -206.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -2219.530728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.530728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.530728 (E_RNA)
where:
Base-Base interactions energy: -1522.460
where: short stacking energy: -616.822
Base-Backbone interact. energy: -1.643
local terms energy: -695.427755
where:
bonds (distance) C4'-P energy: -132.554
bonds (distance) P-C4' energy: -143.746
flat angles C4'-P-C4' energy: -157.491
flat angles P-C4'-P energy: -95.007
tors. eta vs tors. theta energy: -166.630
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: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -2000.240257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.240257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.240257 (E_RNA)
where:
Base-Base interactions energy: -1345.340
where: short stacking energy: -549.015
Base-Backbone interact. energy: 2.055
local terms energy: -656.955386
where:
bonds (distance) C4'-P energy: -130.820
bonds (distance) P-C4' energy: -143.711
flat angles C4'-P-C4' energy: -136.878
flat angles P-C4'-P energy: -98.118
tors. eta vs tors. theta energy: -147.428
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: 10
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1705.143409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.143409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.143409 (E_RNA)
where:
Base-Base interactions energy: -1129.296
where: short stacking energy: -509.673
Base-Backbone interact. energy: -1.565
local terms energy: -574.282542
where:
bonds (distance) C4'-P energy: -124.373
bonds (distance) P-C4' energy: -104.465
flat angles C4'-P-C4' energy: -149.175
flat angles P-C4'-P energy: -83.537
tors. eta vs tors. theta energy: -112.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1618.917503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.917503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.917503 (E_RNA)
where:
Base-Base interactions energy: -1063.292
where: short stacking energy: -463.165
Base-Backbone interact. energy: -4.507
local terms energy: -551.119196
where:
bonds (distance) C4'-P energy: -114.054
bonds (distance) P-C4' energy: -114.713
flat angles C4'-P-C4' energy: -146.695
flat angles P-C4'-P energy: -69.870
tors. eta vs tors. theta energy: -105.788
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: 8, replica: 7
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1227.826500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.826500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.826500 (E_RNA)
where:
Base-Base interactions energy: -717.665
where: short stacking energy: -337.867
Base-Backbone interact. energy: 1.514
local terms energy: -511.675703
where:
bonds (distance) C4'-P energy: -127.141
bonds (distance) P-C4' energy: -133.898
flat angles C4'-P-C4' energy: -133.132
flat angles P-C4'-P energy: -75.971
tors. eta vs tors. theta energy: -41.533
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: 253
Temperature: 1.300000
Total energy: -1138.191505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.191505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.191505 (E_RNA)
where:
Base-Base interactions energy: -648.160
where: short stacking energy: -312.330
Base-Backbone interact. energy: 6.521
local terms energy: -496.552146
where:
bonds (distance) C4'-P energy: -113.257
bonds (distance) P-C4' energy: -124.982
flat angles C4'-P-C4' energy: -123.491
flat angles P-C4'-P energy: -80.821
tors. eta vs tors. theta energy: -54.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -573.648644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.648644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.648644 (E_RNA)
where:
Base-Base interactions energy: -207.658
where: short stacking energy: -159.164
Base-Backbone interact. energy: -3.981
local terms energy: -362.009865
where:
bonds (distance) C4'-P energy: -115.045
bonds (distance) P-C4' energy: -114.538
flat angles C4'-P-C4' energy: -89.058
flat angles P-C4'-P energy: -72.915
tors. eta vs tors. theta energy: 29.545
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2709.210561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2709.210561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2709.210561 (E_RNA)
where:
Base-Base interactions energy: -1865.937
where: short stacking energy: -777.550
Base-Backbone interact. energy: -8.769
local terms energy: -834.504445
where:
bonds (distance) C4'-P energy: -143.478
bonds (distance) P-C4' energy: -153.732
flat angles C4'-P-C4' energy: -171.214
flat angles P-C4'-P energy: -120.376
tors. eta vs tors. theta energy: -245.705
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: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2548.957756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.957756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.957756 (E_RNA)
where:
Base-Base interactions energy: -1742.058
where: short stacking energy: -702.813
Base-Backbone interact. energy: -3.825
local terms energy: -803.075452
where:
bonds (distance) C4'-P energy: -147.559
bonds (distance) P-C4' energy: -157.774
flat angles C4'-P-C4' energy: -164.893
flat angles P-C4'-P energy: -115.447
tors. eta vs tors. theta energy: -217.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -2316.353458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2316.353458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2316.353458 (E_RNA)
where:
Base-Base interactions energy: -1589.704
where: short stacking energy: -647.921
Base-Backbone interact. energy: 0.812
local terms energy: -727.461427
where:
bonds (distance) C4'-P energy: -138.400
bonds (distance) P-C4' energy: -138.449
flat angles C4'-P-C4' energy: -153.884
flat angles P-C4'-P energy: -115.748
tors. eta vs tors. theta energy: -180.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -2176.632714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.632714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.632714 (E_RNA)
where:
Base-Base interactions energy: -1467.681
where: short stacking energy: -608.529
Base-Backbone interact. energy: -1.208
local terms energy: -707.743386
where:
bonds (distance) C4'-P energy: -148.105
bonds (distance) P-C4' energy: -134.876
flat angles C4'-P-C4' energy: -163.972
flat angles P-C4'-P energy: -91.835
tors. eta vs tors. theta energy: -168.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1973.441011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.441011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.441011 (E_RNA)
where:
Base-Base interactions energy: -1334.548
where: short stacking energy: -567.245
Base-Backbone interact. energy: -1.219
local terms energy: -637.674194
where:
bonds (distance) C4'-P energy: -124.450
bonds (distance) P-C4' energy: -137.433
flat angles C4'-P-C4' energy: -148.153
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -150.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1763.797332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.797332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.797332 (E_RNA)
where:
Base-Base interactions energy: -1152.688
where: short stacking energy: -500.879
Base-Backbone interact. energy: -3.100
local terms energy: -608.009450
where:
bonds (distance) C4'-P energy: -136.063
bonds (distance) P-C4' energy: -128.051
flat angles C4'-P-C4' energy: -129.444
flat angles P-C4'-P energy: -84.215
tors. eta vs tors. theta energy: -130.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1575.235204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.235204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.235204 (E_RNA)
where:
Base-Base interactions energy: -1001.248
where: short stacking energy: -412.187
Base-Backbone interact. energy: 1.827
local terms energy: -575.813857
where:
bonds (distance) C4'-P energy: -122.425
bonds (distance) P-C4' energy: -150.513
flat angles C4'-P-C4' energy: -132.260
flat angles P-C4'-P energy: -76.889
tors. eta vs tors. theta energy: -93.726
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: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1132.952387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.952387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.952387 (E_RNA)
where:
Base-Base interactions energy: -655.311
where: short stacking energy: -318.621
Base-Backbone interact. energy: 2.263
local terms energy: -479.904299
where:
bonds (distance) C4'-P energy: -117.288
bonds (distance) P-C4' energy: -134.833
flat angles C4'-P-C4' energy: -112.891
flat angles P-C4'-P energy: -56.754
tors. eta vs tors. theta energy: -58.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1072.024713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.024713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.024713 (E_RNA)
where:
Base-Base interactions energy: -640.691
where: short stacking energy: -307.655
Base-Backbone interact. energy: 0.905
local terms energy: -432.238333
where:
bonds (distance) C4'-P energy: -106.516
bonds (distance) P-C4' energy: -118.470
flat angles C4'-P-C4' energy: -107.912
flat angles P-C4'-P energy: -70.959
tors. eta vs tors. theta energy: -28.382
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: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -584.217507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.217507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.217507 (E_RNA)
where:
Base-Base interactions energy: -226.025
where: short stacking energy: -172.476
Base-Backbone interact. energy: -1.208
local terms energy: -356.984724
where:
bonds (distance) C4'-P energy: -108.210
bonds (distance) P-C4' energy: -119.370
flat angles C4'-P-C4' energy: -101.643
flat angles P-C4'-P energy: -66.460
tors. eta vs tors. theta energy: 38.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -2706.341468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2706.341468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2706.341468 (E_RNA)
where:
Base-Base interactions energy: -1872.701
where: short stacking energy: -748.381
Base-Backbone interact. energy: -4.338
local terms energy: -829.302464
where:
bonds (distance) C4'-P energy: -155.200
bonds (distance) P-C4' energy: -139.862
flat angles C4'-P-C4' energy: -176.170
flat angles P-C4'-P energy: -128.521
tors. eta vs tors. theta energy: -229.549
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: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -2552.595497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.595497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.595497 (E_RNA)
where:
Base-Base interactions energy: -1779.132
where: short stacking energy: -729.601
Base-Backbone interact. energy: -4.953
local terms energy: -768.510949
where:
bonds (distance) C4'-P energy: -136.191
bonds (distance) P-C4' energy: -132.381
flat angles C4'-P-C4' energy: -175.531
flat angles P-C4'-P energy: -104.180
tors. eta vs tors. theta energy: -220.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -2351.736572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.736572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.736572 (E_RNA)
where:
Base-Base interactions energy: -1598.845
where: short stacking energy: -635.443
Base-Backbone interact. energy: 0.231
local terms energy: -753.122347
where:
bonds (distance) C4'-P energy: -138.941
bonds (distance) P-C4' energy: -139.799
flat angles C4'-P-C4' energy: -167.244
flat angles P-C4'-P energy: -118.435
tors. eta vs tors. theta energy: -188.704
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: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -2189.430630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.430630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.430630 (E_RNA)
where:
Base-Base interactions energy: -1480.579
where: short stacking energy: -616.289
Base-Backbone interact. energy: 0.481
local terms energy: -709.333286
where:
bonds (distance) C4'-P energy: -144.941
bonds (distance) P-C4' energy: -132.277
flat angles C4'-P-C4' energy: -153.534
flat angles P-C4'-P energy: -105.505
tors. eta vs tors. theta energy: -173.076
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: 4
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1950.807691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.807691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.807691 (E_RNA)
where:
Base-Base interactions energy: -1287.540
where: short stacking energy: -555.834
Base-Backbone interact. energy: -4.319
local terms energy: -658.948151
where:
bonds (distance) C4'-P energy: -135.722
bonds (distance) P-C4' energy: -127.513
flat angles C4'-P-C4' energy: -144.182
flat angles P-C4'-P energy: -97.549
tors. eta vs tors. theta energy: -153.982
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: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1768.210066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.210066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.210066 (E_RNA)
where:
Base-Base interactions energy: -1131.291
where: short stacking energy: -508.425
Base-Backbone interact. energy: -1.059
local terms energy: -635.859334
where:
bonds (distance) C4'-P energy: -137.937
bonds (distance) P-C4' energy: -138.884
flat angles C4'-P-C4' energy: -146.454
flat angles P-C4'-P energy: -92.069
tors. eta vs tors. theta energy: -120.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1689.622579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.622579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.622579 (E_RNA)
where:
Base-Base interactions energy: -1090.414
where: short stacking energy: -502.402
Base-Backbone interact. energy: 1.292
local terms energy: -600.500435
where:
bonds (distance) C4'-P energy: -122.427
bonds (distance) P-C4' energy: -115.245
flat angles C4'-P-C4' energy: -154.627
flat angles P-C4'-P energy: -83.803
tors. eta vs tors. theta energy: -124.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1266.329205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.329205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.329205 (E_RNA)
where:
Base-Base interactions energy: -757.314
where: short stacking energy: -373.580
Base-Backbone interact. energy: 1.909
local terms energy: -510.924478
where:
bonds (distance) C4'-P energy: -126.641
bonds (distance) P-C4' energy: -108.387
flat angles C4'-P-C4' energy: -124.327
flat angles P-C4'-P energy: -80.931
tors. eta vs tors. theta energy: -70.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1108.232411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.232411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.232411 (E_RNA)
where:
Base-Base interactions energy: -658.995
where: short stacking energy: -328.682
Base-Backbone interact. energy: 3.234
local terms energy: -452.471489
where:
bonds (distance) C4'-P energy: -139.360
bonds (distance) P-C4' energy: -125.695
flat angles C4'-P-C4' energy: -97.383
flat angles P-C4'-P energy: -57.744
tors. eta vs tors. theta energy: -32.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -546.439879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.439879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.439879 (E_RNA)
where:
Base-Base interactions energy: -154.359
where: short stacking energy: -114.703
Base-Backbone interact. energy: -0.746
local terms energy: -391.334587
where:
bonds (distance) C4'-P energy: -116.999
bonds (distance) P-C4' energy: -124.875
flat angles C4'-P-C4' energy: -101.763
flat angles P-C4'-P energy: -71.398
tors. eta vs tors. theta energy: 23.700
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: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2697.569617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.569617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.569617 (E_RNA)
where:
Base-Base interactions energy: -1879.611
where: short stacking energy: -770.295
Base-Backbone interact. energy: -5.244
local terms energy: -812.714596
where:
bonds (distance) C4'-P energy: -134.501
bonds (distance) P-C4' energy: -145.115
flat angles C4'-P-C4' energy: -185.387
flat angles P-C4'-P energy: -111.340
tors. eta vs tors. theta energy: -236.372
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: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -2555.420216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.420216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.420216 (E_RNA)
where:
Base-Base interactions energy: -1763.268
where: short stacking energy: -706.410
Base-Backbone interact. energy: 1.080
local terms energy: -793.232322
where:
bonds (distance) C4'-P energy: -134.944
bonds (distance) P-C4' energy: -152.520
flat angles C4'-P-C4' energy: -173.413
flat angles P-C4'-P energy: -119.346
tors. eta vs tors. theta energy: -213.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -2395.094234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.094234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.094234 (E_RNA)
where:
Base-Base interactions energy: -1636.607
where: short stacking energy: -672.018
Base-Backbone interact. energy: -5.493
local terms energy: -752.995059
where:
bonds (distance) C4'-P energy: -144.049
bonds (distance) P-C4' energy: -141.076
flat angles C4'-P-C4' energy: -160.802
flat angles P-C4'-P energy: -100.572
tors. eta vs tors. theta energy: -206.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -2174.612403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2174.612403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2174.612403 (E_RNA)
where:
Base-Base interactions energy: -1506.449
where: short stacking energy: -635.995
Base-Backbone interact. energy: 0.651
local terms energy: -668.814316
where:
bonds (distance) C4'-P energy: -132.836
bonds (distance) P-C4' energy: -108.765
flat angles C4'-P-C4' energy: -154.126
flat angles P-C4'-P energy: -99.928
tors. eta vs tors. theta energy: -173.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -2011.073469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.073469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.073469 (E_RNA)
where:
Base-Base interactions energy: -1325.906
where: short stacking energy: -588.886
Base-Backbone interact. energy: 0.076
local terms energy: -685.243809
where:
bonds (distance) C4'-P energy: -124.800
bonds (distance) P-C4' energy: -146.612
flat angles C4'-P-C4' energy: -157.440
flat angles P-C4'-P energy: -93.156
tors. eta vs tors. theta energy: -163.236
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: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1832.703974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.703974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.703974 (E_RNA)
where:
Base-Base interactions energy: -1204.929
where: short stacking energy: -520.339
Base-Backbone interact. energy: -0.917
local terms energy: -626.857781
where:
bonds (distance) C4'-P energy: -137.598
bonds (distance) P-C4' energy: -125.747
flat angles C4'-P-C4' energy: -162.403
flat angles P-C4'-P energy: -79.672
tors. eta vs tors. theta energy: -121.438
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: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1741.463589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.463589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.463589 (E_RNA)
where:
Base-Base interactions energy: -1141.578
where: short stacking energy: -504.852
Base-Backbone interact. energy: 2.451
local terms energy: -602.336382
where:
bonds (distance) C4'-P energy: -140.779
bonds (distance) P-C4' energy: -116.177
flat angles C4'-P-C4' energy: -133.026
flat angles P-C4'-P energy: -77.306
tors. eta vs tors. theta energy: -135.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1266.167338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.167338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.167338 (E_RNA)
where:
Base-Base interactions energy: -741.033
where: short stacking energy: -373.026
Base-Backbone interact. energy: 1.990
local terms energy: -527.124581
where:
bonds (distance) C4'-P energy: -127.400
bonds (distance) P-C4' energy: -129.882
flat angles C4'-P-C4' energy: -126.659
flat angles P-C4'-P energy: -68.888
tors. eta vs tors. theta energy: -74.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1030.084281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.084281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.084281 (E_RNA)
where:
Base-Base interactions energy: -591.012
where: short stacking energy: -289.290
Base-Backbone interact. energy: 2.196
local terms energy: -441.268484
where:
bonds (distance) C4'-P energy: -127.239
bonds (distance) P-C4' energy: -109.385
flat angles C4'-P-C4' energy: -108.345
flat angles P-C4'-P energy: -71.859
tors. eta vs tors. theta energy: -24.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -562.658898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.658898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.658898 (E_RNA)
where:
Base-Base interactions energy: -174.542
where: short stacking energy: -123.867
Base-Backbone interact. energy: -0.086
local terms energy: -388.031351
where:
bonds (distance) C4'-P energy: -136.002
bonds (distance) P-C4' energy: -139.520
flat angles C4'-P-C4' energy: -118.923
flat angles P-C4'-P energy: -38.335
tors. eta vs tors. theta energy: 44.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2685.579006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.579006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.579006 (E_RNA)
where:
Base-Base interactions energy: -1853.619
where: short stacking energy: -754.114
Base-Backbone interact. energy: -7.720
local terms energy: -824.240389
where:
bonds (distance) C4'-P energy: -153.552
bonds (distance) P-C4' energy: -149.588
flat angles C4'-P-C4' energy: -182.277
flat angles P-C4'-P energy: -98.344
tors. eta vs tors. theta energy: -240.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -2523.436634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.436634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.436634 (E_RNA)
where:
Base-Base interactions energy: -1748.046
where: short stacking energy: -700.074
Base-Backbone interact. energy: 1.186
local terms energy: -776.576991
where:
bonds (distance) C4'-P energy: -143.130
bonds (distance) P-C4' energy: -141.012
flat angles C4'-P-C4' energy: -168.793
flat angles P-C4'-P energy: -120.855
tors. eta vs tors. theta energy: -202.788
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: 257
Temperature: 1.000000
Total energy: -2368.195645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.195645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.195645 (E_RNA)
where:
Base-Base interactions energy: -1618.099
where: short stacking energy: -659.283
Base-Backbone interact. energy: -3.716
local terms energy: -746.380868
where:
bonds (distance) C4'-P energy: -123.839
bonds (distance) P-C4' energy: -156.945
flat angles C4'-P-C4' energy: -174.561
flat angles P-C4'-P energy: -98.272
tors. eta vs tors. theta energy: -192.763
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: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -2191.634257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2191.634257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2191.634257 (E_RNA)
where:
Base-Base interactions energy: -1502.134
where: short stacking energy: -641.466
Base-Backbone interact. energy: 0.351
local terms energy: -689.851632
where:
bonds (distance) C4'-P energy: -138.047
bonds (distance) P-C4' energy: -142.774
flat angles C4'-P-C4' energy: -152.411
flat angles P-C4'-P energy: -93.569
tors. eta vs tors. theta energy: -163.051
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: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -2003.645387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.645387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.645387 (E_RNA)
where:
Base-Base interactions energy: -1331.221
where: short stacking energy: -603.734
Base-Backbone interact. energy: -2.400
local terms energy: -670.024738
where:
bonds (distance) C4'-P energy: -136.481
bonds (distance) P-C4' energy: -139.613
flat angles C4'-P-C4' energy: -136.661
flat angles P-C4'-P energy: -100.709
tors. eta vs tors. theta energy: -156.560
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: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1740.778872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.778872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.778872 (E_RNA)
where:
Base-Base interactions energy: -1104.542
where: short stacking energy: -515.005
Base-Backbone interact. energy: 1.171
local terms energy: -637.407810
where:
bonds (distance) C4'-P energy: -138.476
bonds (distance) P-C4' energy: -137.036
flat angles C4'-P-C4' energy: -133.509
flat angles P-C4'-P energy: -100.420
tors. eta vs tors. theta energy: -127.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1772.762082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.762082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.762082 (E_RNA)
where:
Base-Base interactions energy: -1147.541
where: short stacking energy: -514.712
Base-Backbone interact. energy: 1.604
local terms energy: -626.825154
where:
bonds (distance) C4'-P energy: -129.146
bonds (distance) P-C4' energy: -128.726
flat angles C4'-P-C4' energy: -146.512
flat angles P-C4'-P energy: -69.084
tors. eta vs tors. theta energy: -153.357
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: 6
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1266.659546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.659546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.659546 (E_RNA)
where:
Base-Base interactions energy: -761.421
where: short stacking energy: -368.296
Base-Backbone interact. energy: 0.406
local terms energy: -505.644183
where:
bonds (distance) C4'-P energy: -114.802
bonds (distance) P-C4' energy: -139.727
flat angles C4'-P-C4' energy: -108.273
flat angles P-C4'-P energy: -72.026
tors. eta vs tors. theta energy: -70.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1012.525315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.525315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.525315 (E_RNA)
where:
Base-Base interactions energy: -566.384
where: short stacking energy: -281.960
Base-Backbone interact. energy: 10.777
local terms energy: -456.917974
where:
bonds (distance) C4'-P energy: -126.592
bonds (distance) P-C4' energy: -117.961
flat angles C4'-P-C4' energy: -103.429
flat angles P-C4'-P energy: -84.298
tors. eta vs tors. theta energy: -24.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -569.955583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.955583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.955583 (E_RNA)
where:
Base-Base interactions energy: -201.807
where: short stacking energy: -160.047
Base-Backbone interact. energy: 2.760
local terms energy: -370.908241
where:
bonds (distance) C4'-P energy: -121.738
bonds (distance) P-C4' energy: -139.977
flat angles C4'-P-C4' energy: -97.711
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: 31.773
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: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2704.073833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.073833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.073833 (E_RNA)
where:
Base-Base interactions energy: -1896.309
where: short stacking energy: -795.127
Base-Backbone interact. energy: -8.542
local terms energy: -799.222275
where:
bonds (distance) C4'-P energy: -136.777
bonds (distance) P-C4' energy: -131.602
flat angles C4'-P-C4' energy: -175.469
flat angles P-C4'-P energy: -113.011
tors. eta vs tors. theta energy: -242.363
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: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2553.867607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.867607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.867607 (E_RNA)
where:
Base-Base interactions energy: -1771.317
where: short stacking energy: -709.271
Base-Backbone interact. energy: -0.164
local terms energy: -782.387091
where:
bonds (distance) C4'-P energy: -149.856
bonds (distance) P-C4' energy: -156.412
flat angles C4'-P-C4' energy: -165.841
flat angles P-C4'-P energy: -103.948
tors. eta vs tors. theta energy: -206.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -2388.781921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.781921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.781921 (E_RNA)
where:
Base-Base interactions energy: -1648.616
where: short stacking energy: -689.320
Base-Backbone interact. energy: 0.338
local terms energy: -740.503865
where:
bonds (distance) C4'-P energy: -140.536
bonds (distance) P-C4' energy: -150.647
flat angles C4'-P-C4' energy: -154.959
flat angles P-C4'-P energy: -96.681
tors. eta vs tors. theta energy: -197.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -2157.299609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.299609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.299609 (E_RNA)
where:
Base-Base interactions energy: -1473.579
where: short stacking energy: -607.845
Base-Backbone interact. energy: 1.379
local terms energy: -685.098671
where:
bonds (distance) C4'-P energy: -151.521
bonds (distance) P-C4' energy: -135.860
flat angles C4'-P-C4' energy: -151.459
flat angles P-C4'-P energy: -86.701
tors. eta vs tors. theta energy: -159.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1936.386241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.386241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.386241 (E_RNA)
where:
Base-Base interactions energy: -1237.171
where: short stacking energy: -571.862
Base-Backbone interact. energy: -3.819
local terms energy: -695.396283
where:
bonds (distance) C4'-P energy: -127.395
bonds (distance) P-C4' energy: -146.159
flat angles C4'-P-C4' energy: -154.719
flat angles P-C4'-P energy: -110.429
tors. eta vs tors. theta energy: -156.695
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: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1795.171626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.171626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.171626 (E_RNA)
where:
Base-Base interactions energy: -1170.777
where: short stacking energy: -527.072
Base-Backbone interact. energy: -2.349
local terms energy: -622.045525
where:
bonds (distance) C4'-P energy: -121.810
bonds (distance) P-C4' energy: -140.102
flat angles C4'-P-C4' energy: -142.118
flat angles P-C4'-P energy: -74.897
tors. eta vs tors. theta energy: -143.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1693.347227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.347227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.347227 (E_RNA)
where:
Base-Base interactions energy: -1134.057
where: short stacking energy: -488.693
Base-Backbone interact. energy: 5.986
local terms energy: -565.276431
where:
bonds (distance) C4'-P energy: -121.215
bonds (distance) P-C4' energy: -125.008
flat angles C4'-P-C4' energy: -131.380
flat angles P-C4'-P energy: -75.734
tors. eta vs tors. theta energy: -111.939
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: 6
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1170.729715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.729715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.729715 (E_RNA)
where:
Base-Base interactions energy: -673.887
where: short stacking energy: -315.578
Base-Backbone interact. energy: -0.989
local terms energy: -495.853416
where:
bonds (distance) C4'-P energy: -134.307
bonds (distance) P-C4' energy: -113.284
flat angles C4'-P-C4' energy: -132.552
flat angles P-C4'-P energy: -65.303
tors. eta vs tors. theta energy: -50.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1053.607264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.607264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.607264 (E_RNA)
where:
Base-Base interactions energy: -621.717
where: short stacking energy: -285.864
Base-Backbone interact. energy: 0.534
local terms energy: -432.423881
where:
bonds (distance) C4'-P energy: -118.995
bonds (distance) P-C4' energy: -132.571
flat angles C4'-P-C4' energy: -107.017
flat angles P-C4'-P energy: -49.151
tors. eta vs tors. theta energy: -24.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -541.260526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.260526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.260526 (E_RNA)
where:
Base-Base interactions energy: -196.212
where: short stacking energy: -134.556
Base-Backbone interact. energy: -2.498
local terms energy: -342.550591
where:
bonds (distance) C4'-P energy: -129.718
bonds (distance) P-C4' energy: -118.029
flat angles C4'-P-C4' energy: -100.590
flat angles P-C4'-P energy: -39.691
tors. eta vs tors. theta energy: 45.477
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: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2701.627765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.627765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.627765 (E_RNA)
where:
Base-Base interactions energy: -1871.122
where: short stacking energy: -782.015
Base-Backbone interact. energy: -4.686
local terms energy: -825.820561
where:
bonds (distance) C4'-P energy: -146.302
bonds (distance) P-C4' energy: -152.249
flat angles C4'-P-C4' energy: -171.956
flat angles P-C4'-P energy: -117.692
tors. eta vs tors. theta energy: -237.622
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: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2565.386618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.386618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.386618 (E_RNA)
where:
Base-Base interactions energy: -1784.409
where: short stacking energy: -717.264
Base-Backbone interact. energy: -1.444
local terms energy: -779.532861
where:
bonds (distance) C4'-P energy: -139.667
bonds (distance) P-C4' energy: -153.925
flat angles C4'-P-C4' energy: -159.557
flat angles P-C4'-P energy: -116.137
tors. eta vs tors. theta energy: -210.247
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: 259
Temperature: 1.000000
Total energy: -2358.722221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.722221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.722221 (E_RNA)
where:
Base-Base interactions energy: -1612.104
where: short stacking energy: -669.950
Base-Backbone interact. energy: -5.095
local terms energy: -741.523346
where:
bonds (distance) C4'-P energy: -137.098
bonds (distance) P-C4' energy: -148.236
flat angles C4'-P-C4' energy: -160.658
flat angles P-C4'-P energy: -100.963
tors. eta vs tors. theta energy: -194.569
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: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -2230.506958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.506958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.506958 (E_RNA)
where:
Base-Base interactions energy: -1531.290
where: short stacking energy: -637.848
Base-Backbone interact. energy: -0.140
local terms energy: -699.076453
where:
bonds (distance) C4'-P energy: -130.742
bonds (distance) P-C4' energy: -126.916
flat angles C4'-P-C4' energy: -155.456
flat angles P-C4'-P energy: -110.135
tors. eta vs tors. theta energy: -175.827
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: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1963.884235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.884235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.884235 (E_RNA)
where:
Base-Base interactions energy: -1277.997
where: short stacking energy: -553.441
Base-Backbone interact. energy: -2.108
local terms energy: -683.778596
where:
bonds (distance) C4'-P energy: -132.957
bonds (distance) P-C4' energy: -138.035
flat angles C4'-P-C4' energy: -161.721
flat angles P-C4'-P energy: -81.301
tors. eta vs tors. theta energy: -169.764
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: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1786.939727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.939727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.939727 (E_RNA)
where:
Base-Base interactions energy: -1163.742
where: short stacking energy: -518.180
Base-Backbone interact. energy: -1.388
local terms energy: -621.809643
where:
bonds (distance) C4'-P energy: -115.913
bonds (distance) P-C4' energy: -144.797
flat angles C4'-P-C4' energy: -140.089
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -142.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1741.182185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.182185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.182185 (E_RNA)
where:
Base-Base interactions energy: -1141.296
where: short stacking energy: -499.416
Base-Backbone interact. energy: 3.072
local terms energy: -602.958040
where:
bonds (distance) C4'-P energy: -123.894
bonds (distance) P-C4' energy: -140.173
flat angles C4'-P-C4' energy: -131.540
flat angles P-C4'-P energy: -78.457
tors. eta vs tors. theta energy: -128.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1102.497310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.497310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.497310 (E_RNA)
where:
Base-Base interactions energy: -622.341
where: short stacking energy: -308.472
Base-Backbone interact. energy: -2.797
local terms energy: -477.359165
where:
bonds (distance) C4'-P energy: -114.064
bonds (distance) P-C4' energy: -121.689
flat angles C4'-P-C4' energy: -118.722
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -34.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1027.544872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.544872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.544872 (E_RNA)
where:
Base-Base interactions energy: -571.124
where: short stacking energy: -265.731
Base-Backbone interact. energy: -3.003
local terms energy: -453.417862
where:
bonds (distance) C4'-P energy: -101.297
bonds (distance) P-C4' energy: -132.228
flat angles C4'-P-C4' energy: -125.558
flat angles P-C4'-P energy: -81.452
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -592.609654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.609654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.609654 (E_RNA)
where:
Base-Base interactions energy: -222.589
where: short stacking energy: -147.839
Base-Backbone interact. energy: 1.793
local terms energy: -371.813504
where:
bonds (distance) C4'-P energy: -129.846
bonds (distance) P-C4' energy: -123.446
flat angles C4'-P-C4' energy: -96.025
flat angles P-C4'-P energy: -45.064
tors. eta vs tors. theta energy: 22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2712.745586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.745586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.745586 (E_RNA)
where:
Base-Base interactions energy: -1856.525
where: short stacking energy: -778.459
Base-Backbone interact. energy: -8.030
local terms energy: -848.190036
where:
bonds (distance) C4'-P energy: -155.640
bonds (distance) P-C4' energy: -160.750
flat angles C4'-P-C4' energy: -173.372
flat angles P-C4'-P energy: -120.208
tors. eta vs tors. theta energy: -238.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -2540.843329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.843329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.843329 (E_RNA)
where:
Base-Base interactions energy: -1745.020
where: short stacking energy: -720.603
Base-Backbone interact. energy: -2.484
local terms energy: -793.339232
where:
bonds (distance) C4'-P energy: -151.103
bonds (distance) P-C4' energy: -136.545
flat angles C4'-P-C4' energy: -179.143
flat angles P-C4'-P energy: -118.623
tors. eta vs tors. theta energy: -207.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -2378.013249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.013249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.013249 (E_RNA)
where:
Base-Base interactions energy: -1611.215
where: short stacking energy: -644.511
Base-Backbone interact. energy: 0.198
local terms energy: -766.996320
where:
bonds (distance) C4'-P energy: -136.921
bonds (distance) P-C4' energy: -148.482
flat angles C4'-P-C4' energy: -171.794
flat angles P-C4'-P energy: -111.288
tors. eta vs tors. theta energy: -198.511
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: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -2239.539233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2239.539233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2239.539233 (E_RNA)
where:
Base-Base interactions energy: -1524.543
where: short stacking energy: -614.639
Base-Backbone interact. energy: -0.973
local terms energy: -714.023149
where:
bonds (distance) C4'-P energy: -125.462
bonds (distance) P-C4' energy: -156.713
flat angles C4'-P-C4' energy: -148.506
flat angles P-C4'-P energy: -102.820
tors. eta vs tors. theta energy: -180.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1919.281664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.281664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.281664 (E_RNA)
where:
Base-Base interactions energy: -1251.875
where: short stacking energy: -525.759
Base-Backbone interact. energy: 0.385
local terms energy: -667.791374
where:
bonds (distance) C4'-P energy: -126.227
bonds (distance) P-C4' energy: -121.437
flat angles C4'-P-C4' energy: -153.572
flat angles P-C4'-P energy: -110.577
tors. eta vs tors. theta energy: -155.980
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: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1768.754337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.754337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.754337 (E_RNA)
where:
Base-Base interactions energy: -1159.469
where: short stacking energy: -517.179
Base-Backbone interact. energy: -1.706
local terms energy: -607.578947
where:
bonds (distance) C4'-P energy: -127.370
bonds (distance) P-C4' energy: -120.138
flat angles C4'-P-C4' energy: -131.942
flat angles P-C4'-P energy: -82.042
tors. eta vs tors. theta energy: -146.087
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: 10
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1609.990977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.990977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.990977 (E_RNA)
where:
Base-Base interactions energy: -1033.923
where: short stacking energy: -435.078
Base-Backbone interact. energy: -2.891
local terms energy: -573.176944
where:
bonds (distance) C4'-P energy: -120.784
bonds (distance) P-C4' energy: -119.497
flat angles C4'-P-C4' energy: -136.241
flat angles P-C4'-P energy: -88.740
tors. eta vs tors. theta energy: -107.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1170.833053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.833053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.833053 (E_RNA)
where:
Base-Base interactions energy: -667.560
where: short stacking energy: -326.095
Base-Backbone interact. energy: -1.796
local terms energy: -501.477233
where:
bonds (distance) C4'-P energy: -132.508
bonds (distance) P-C4' energy: -138.954
flat angles C4'-P-C4' energy: -115.636
flat angles P-C4'-P energy: -66.172
tors. eta vs tors. theta energy: -48.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -998.627833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.627833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.627833 (E_RNA)
where:
Base-Base interactions energy: -560.485
where: short stacking energy: -296.010
Base-Backbone interact. energy: -3.093
local terms energy: -435.049881
where:
bonds (distance) C4'-P energy: -100.290
bonds (distance) P-C4' energy: -130.228
flat angles C4'-P-C4' energy: -108.250
flat angles P-C4'-P energy: -68.914
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -612.120905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.120905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.120905 (E_RNA)
where:
Base-Base interactions energy: -214.863
where: short stacking energy: -173.162
Base-Backbone interact. energy: 0.480
local terms energy: -397.737816
where:
bonds (distance) C4'-P energy: -118.144
bonds (distance) P-C4' energy: -115.924
flat angles C4'-P-C4' energy: -117.609
flat angles P-C4'-P energy: -66.740
tors. eta vs tors. theta energy: 20.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2708.477049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.477049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.477049 (E_RNA)
where:
Base-Base interactions energy: -1884.946
where: short stacking energy: -761.512
Base-Backbone interact. energy: -8.684
local terms energy: -814.846853
where:
bonds (distance) C4'-P energy: -146.114
bonds (distance) P-C4' energy: -157.391
flat angles C4'-P-C4' energy: -169.558
flat angles P-C4'-P energy: -103.786
tors. eta vs tors. theta energy: -237.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2548.496341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.496341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.496341 (E_RNA)
where:
Base-Base interactions energy: -1756.664
where: short stacking energy: -703.881
Base-Backbone interact. energy: -1.518
local terms energy: -790.315042
where:
bonds (distance) C4'-P energy: -160.447
bonds (distance) P-C4' energy: -131.028
flat angles C4'-P-C4' energy: -166.490
flat angles P-C4'-P energy: -126.983
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: 3, replica: 9
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -2361.832636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.832636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.832636 (E_RNA)
where:
Base-Base interactions energy: -1641.120
where: short stacking energy: -678.489
Base-Backbone interact. energy: -2.515
local terms energy: -718.197641
where:
bonds (distance) C4'-P energy: -132.406
bonds (distance) P-C4' energy: -144.355
flat angles C4'-P-C4' energy: -151.152
flat angles P-C4'-P energy: -100.733
tors. eta vs tors. theta energy: -189.553
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: 3
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -2234.206107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.206107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.206107 (E_RNA)
where:
Base-Base interactions energy: -1515.050
where: short stacking energy: -653.713
Base-Backbone interact. energy: 1.109
local terms energy: -720.264895
where:
bonds (distance) C4'-P energy: -140.363
bonds (distance) P-C4' energy: -131.550
flat angles C4'-P-C4' energy: -157.957
flat angles P-C4'-P energy: -98.775
tors. eta vs tors. theta energy: -191.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1926.454067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.454067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.454067 (E_RNA)
where:
Base-Base interactions energy: -1264.089
where: short stacking energy: -544.527
Base-Backbone interact. energy: -1.325
local terms energy: -661.040247
where:
bonds (distance) C4'-P energy: -132.538
bonds (distance) P-C4' energy: -152.570
flat angles C4'-P-C4' energy: -127.769
flat angles P-C4'-P energy: -98.702
tors. eta vs tors. theta energy: -149.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1784.498119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.498119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.498119 (E_RNA)
where:
Base-Base interactions energy: -1183.994
where: short stacking energy: -493.769
Base-Backbone interact. energy: 0.368
local terms energy: -600.871714
where:
bonds (distance) C4'-P energy: -114.735
bonds (distance) P-C4' energy: -136.356
flat angles C4'-P-C4' energy: -144.761
flat angles P-C4'-P energy: -73.687
tors. eta vs tors. theta energy: -131.333
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: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1611.444939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.444939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.444939 (E_RNA)
where:
Base-Base interactions energy: -1041.976
where: short stacking energy: -484.594
Base-Backbone interact. energy: -2.502
local terms energy: -566.967821
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -114.574
flat angles C4'-P-C4' energy: -148.726
flat angles P-C4'-P energy: -81.776
tors. eta vs tors. theta energy: -106.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1161.884263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.884263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.884263 (E_RNA)
where:
Base-Base interactions energy: -679.992
where: short stacking energy: -358.739
Base-Backbone interact. energy: -0.611
local terms energy: -481.281116
where:
bonds (distance) C4'-P energy: -133.074
bonds (distance) P-C4' energy: -122.381
flat angles C4'-P-C4' energy: -117.322
flat angles P-C4'-P energy: -50.013
tors. eta vs tors. theta energy: -58.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1022.471135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.471135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.471135 (E_RNA)
where:
Base-Base interactions energy: -565.395
where: short stacking energy: -294.772
Base-Backbone interact. energy: -0.014
local terms energy: -457.062012
where:
bonds (distance) C4'-P energy: -111.134
bonds (distance) P-C4' energy: -129.675
flat angles C4'-P-C4' energy: -122.096
flat angles P-C4'-P energy: -60.497
tors. eta vs tors. theta energy: -33.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -541.740833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.740833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.740833 (E_RNA)
where:
Base-Base interactions energy: -197.888
where: short stacking energy: -154.766
Base-Backbone interact. energy: -0.069
local terms energy: -343.783823
where:
bonds (distance) C4'-P energy: -125.178
bonds (distance) P-C4' energy: -112.292
flat angles C4'-P-C4' energy: -92.410
flat angles P-C4'-P energy: -47.741
tors. eta vs tors. theta energy: 33.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2711.724809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.724809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.724809 (E_RNA)
where:
Base-Base interactions energy: -1875.241
where: short stacking energy: -776.383
Base-Backbone interact. energy: -4.860
local terms energy: -831.623827
where:
bonds (distance) C4'-P energy: -160.753
bonds (distance) P-C4' energy: -152.782
flat angles C4'-P-C4' energy: -176.051
flat angles P-C4'-P energy: -109.406
tors. eta vs tors. theta energy: -232.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2573.442439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.442439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.442439 (E_RNA)
where:
Base-Base interactions energy: -1805.584
where: short stacking energy: -725.494
Base-Backbone interact. energy: -0.429
local terms energy: -767.428857
where:
bonds (distance) C4'-P energy: -136.403
bonds (distance) P-C4' energy: -157.275
flat angles C4'-P-C4' energy: -151.399
flat angles P-C4'-P energy: -110.783
tors. eta vs tors. theta energy: -211.569
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: 262
Temperature: 1.000000
Total energy: -2402.782365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.782365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.782365 (E_RNA)
where:
Base-Base interactions energy: -1682.522
where: short stacking energy: -670.949
Base-Backbone interact. energy: -3.315
local terms energy: -716.945252
where:
bonds (distance) C4'-P energy: -128.623
bonds (distance) P-C4' energy: -145.096
flat angles C4'-P-C4' energy: -151.973
flat angles P-C4'-P energy: -104.802
tors. eta vs tors. theta energy: -186.451
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: 3
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -2242.785730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.785730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.785730 (E_RNA)
where:
Base-Base interactions energy: -1528.233
where: short stacking energy: -641.997
Base-Backbone interact. energy: -2.636
local terms energy: -711.917104
where:
bonds (distance) C4'-P energy: -141.220
bonds (distance) P-C4' energy: -139.257
flat angles C4'-P-C4' energy: -151.730
flat angles P-C4'-P energy: -91.713
tors. eta vs tors. theta energy: -187.997
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: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1971.505790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.505790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.505790 (E_RNA)
where:
Base-Base interactions energy: -1306.143
where: short stacking energy: -578.885
Base-Backbone interact. energy: 2.204
local terms energy: -667.566906
where:
bonds (distance) C4'-P energy: -119.550
bonds (distance) P-C4' energy: -142.635
flat angles C4'-P-C4' energy: -151.522
flat angles P-C4'-P energy: -99.748
tors. eta vs tors. theta energy: -154.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1846.017396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.017396 (E_RNA)
where:
Base-Base interactions energy: -1229.144
where: short stacking energy: -539.404
Base-Backbone interact. energy: 0.969
local terms energy: -617.842642
where:
bonds (distance) C4'-P energy: -126.684
bonds (distance) P-C4' energy: -124.602
flat angles C4'-P-C4' energy: -135.181
flat angles P-C4'-P energy: -98.607
tors. eta vs tors. theta energy: -132.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1595.976127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.976127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.976127 (E_RNA)
where:
Base-Base interactions energy: -1006.830
where: short stacking energy: -477.009
Base-Backbone interact. energy: 0.025
local terms energy: -589.171622
where:
bonds (distance) C4'-P energy: -115.773
bonds (distance) P-C4' energy: -126.763
flat angles C4'-P-C4' energy: -134.662
flat angles P-C4'-P energy: -99.709
tors. eta vs tors. theta energy: -112.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1099.390287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.390287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.390287 (E_RNA)
where:
Base-Base interactions energy: -605.211
where: short stacking energy: -296.718
Base-Backbone interact. energy: 1.237
local terms energy: -495.416370
where:
bonds (distance) C4'-P energy: -111.671
bonds (distance) P-C4' energy: -126.395
flat angles C4'-P-C4' energy: -124.114
flat angles P-C4'-P energy: -95.183
tors. eta vs tors. theta energy: -38.053
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: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1019.626937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.626937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.626937 (E_RNA)
where:
Base-Base interactions energy: -573.009
where: short stacking energy: -282.357
Base-Backbone interact. energy: 3.085
local terms energy: -449.702742
where:
bonds (distance) C4'-P energy: -131.757
bonds (distance) P-C4' energy: -127.280
flat angles C4'-P-C4' energy: -114.222
flat angles P-C4'-P energy: -67.417
tors. eta vs tors. theta energy: -9.027
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: 1
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -565.426672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.426672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.426672 (E_RNA)
where:
Base-Base interactions energy: -168.750
where: short stacking energy: -138.873
Base-Backbone interact. energy: -0.518
local terms energy: -396.158372
where:
bonds (distance) C4'-P energy: -122.499
bonds (distance) P-C4' energy: -143.056
flat angles C4'-P-C4' energy: -94.658
flat angles P-C4'-P energy: -74.468
tors. eta vs tors. theta energy: 38.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2696.108134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.108134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.108134 (E_RNA)
where:
Base-Base interactions energy: -1888.097
where: short stacking energy: -763.672
Base-Backbone interact. energy: -3.750
local terms energy: -804.261605
where:
bonds (distance) C4'-P energy: -143.476
bonds (distance) P-C4' energy: -150.260
flat angles C4'-P-C4' energy: -173.708
flat angles P-C4'-P energy: -116.174
tors. eta vs tors. theta energy: -220.644
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: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2543.105811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2543.105811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2543.105811 (E_RNA)
where:
Base-Base interactions energy: -1767.003
where: short stacking energy: -721.601
Base-Backbone interact. energy: -2.298
local terms energy: -773.804224
where:
bonds (distance) C4'-P energy: -151.197
bonds (distance) P-C4' energy: -149.897
flat angles C4'-P-C4' energy: -163.731
flat angles P-C4'-P energy: -99.790
tors. eta vs tors. theta energy: -209.189
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: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -2388.962449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2388.962449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2388.962449 (E_RNA)
where:
Base-Base interactions energy: -1634.209
where: short stacking energy: -671.588
Base-Backbone interact. energy: -4.672
local terms energy: -750.081796
where:
bonds (distance) C4'-P energy: -151.947
bonds (distance) P-C4' energy: -138.366
flat angles C4'-P-C4' energy: -160.941
flat angles P-C4'-P energy: -107.910
tors. eta vs tors. theta energy: -190.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -2267.232519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2267.232519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2267.232519 (E_RNA)
where:
Base-Base interactions energy: -1556.566
where: short stacking energy: -641.624
Base-Backbone interact. energy: -3.920
local terms energy: -706.747229
where:
bonds (distance) C4'-P energy: -142.394
bonds (distance) P-C4' energy: -143.599
flat angles C4'-P-C4' energy: -158.714
flat angles P-C4'-P energy: -77.844
tors. eta vs tors. theta energy: -184.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1945.741061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.741061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.741061 (E_RNA)
where:
Base-Base interactions energy: -1277.995
where: short stacking energy: -563.818
Base-Backbone interact. energy: -0.459
local terms energy: -667.287509
where:
bonds (distance) C4'-P energy: -126.726
bonds (distance) P-C4' energy: -150.741
flat angles C4'-P-C4' energy: -151.301
flat angles P-C4'-P energy: -98.341
tors. eta vs tors. theta energy: -140.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1770.152946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.152946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.152946 (E_RNA)
where:
Base-Base interactions energy: -1147.998
where: short stacking energy: -483.521
Base-Backbone interact. energy: -0.011
local terms energy: -622.143529
where:
bonds (distance) C4'-P energy: -133.822
bonds (distance) P-C4' energy: -145.817
flat angles C4'-P-C4' energy: -119.504
flat angles P-C4'-P energy: -99.950
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: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1606.046959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.046959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.046959 (E_RNA)
where:
Base-Base interactions energy: -1020.216
where: short stacking energy: -450.631
Base-Backbone interact. energy: 0.116
local terms energy: -585.947332
where:
bonds (distance) C4'-P energy: -118.252
bonds (distance) P-C4' energy: -141.511
flat angles C4'-P-C4' energy: -128.463
flat angles P-C4'-P energy: -96.643
tors. eta vs tors. theta energy: -101.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1088.609024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.609024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.609024 (E_RNA)
where:
Base-Base interactions energy: -634.047
where: short stacking energy: -294.085
Base-Backbone interact. energy: 0.893
local terms energy: -455.454151
where:
bonds (distance) C4'-P energy: -116.905
bonds (distance) P-C4' energy: -123.788
flat angles C4'-P-C4' energy: -133.485
flat angles P-C4'-P energy: -77.302
tors. eta vs tors. theta energy: -3.974
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: 263
Temperature: 1.300000
Total energy: -1078.119420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.119420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.119420 (E_RNA)
where:
Base-Base interactions energy: -596.485
where: short stacking energy: -271.142
Base-Backbone interact. energy: 1.860
local terms energy: -483.494220
where:
bonds (distance) C4'-P energy: -130.503
bonds (distance) P-C4' energy: -124.835
flat angles C4'-P-C4' energy: -134.173
flat angles P-C4'-P energy: -72.572
tors. eta vs tors. theta energy: -21.411
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: 10, replica: 1
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -595.976260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.976260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.976260 (E_RNA)
where:
Base-Base interactions energy: -230.775
where: short stacking energy: -160.747
Base-Backbone interact. energy: 13.356
local terms energy: -378.556752
where:
bonds (distance) C4'-P energy: -119.267
bonds (distance) P-C4' energy: -137.172
flat angles C4'-P-C4' energy: -80.141
flat angles P-C4'-P energy: -59.975
tors. eta vs tors. theta energy: 17.999
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: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2704.351954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.351954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.351954 (E_RNA)
where:
Base-Base interactions energy: -1883.500
where: short stacking energy: -747.056
Base-Backbone interact. energy: -7.721
local terms energy: -813.131087
where:
bonds (distance) C4'-P energy: -152.194
bonds (distance) P-C4' energy: -149.943
flat angles C4'-P-C4' energy: -170.436
flat angles P-C4'-P energy: -112.652
tors. eta vs tors. theta energy: -227.906
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: 8
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2525.289047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.289047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.289047 (E_RNA)
where:
Base-Base interactions energy: -1769.315
where: short stacking energy: -715.268
Base-Backbone interact. energy: -4.782
local terms energy: -751.191765
where:
bonds (distance) C4'-P energy: -138.649
bonds (distance) P-C4' energy: -134.113
flat angles C4'-P-C4' energy: -156.666
flat angles P-C4'-P energy: -112.135
tors. eta vs tors. theta energy: -209.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -2364.389427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2364.389427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2364.389427 (E_RNA)
where:
Base-Base interactions energy: -1640.038
where: short stacking energy: -657.647
Base-Backbone interact. energy: 1.523
local terms energy: -725.874855
where:
bonds (distance) C4'-P energy: -147.250
bonds (distance) P-C4' energy: -153.716
flat angles C4'-P-C4' energy: -149.332
flat angles P-C4'-P energy: -98.730
tors. eta vs tors. theta energy: -176.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -2291.866663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.866663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.866663 (E_RNA)
where:
Base-Base interactions energy: -1562.269
where: short stacking energy: -657.460
Base-Backbone interact. energy: -5.615
local terms energy: -723.982823
where:
bonds (distance) C4'-P energy: -142.986
bonds (distance) P-C4' energy: -150.908
flat angles C4'-P-C4' energy: -154.072
flat angles P-C4'-P energy: -82.635
tors. eta vs tors. theta energy: -193.383
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: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1921.929779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.929779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.929779 (E_RNA)
where:
Base-Base interactions energy: -1273.455
where: short stacking energy: -548.072
Base-Backbone interact. energy: -0.801
local terms energy: -647.673739
where:
bonds (distance) C4'-P energy: -127.447
bonds (distance) P-C4' energy: -141.806
flat angles C4'-P-C4' energy: -146.702
flat angles P-C4'-P energy: -100.173
tors. eta vs tors. theta energy: -131.546
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: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1745.420052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.420052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.420052 (E_RNA)
where:
Base-Base interactions energy: -1135.297
where: short stacking energy: -520.169
Base-Backbone interact. energy: 4.034
local terms energy: -614.157063
where:
bonds (distance) C4'-P energy: -120.416
bonds (distance) P-C4' energy: -125.337
flat angles C4'-P-C4' energy: -149.205
flat angles P-C4'-P energy: -89.353
tors. eta vs tors. theta energy: -129.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1611.794682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.794682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.794682 (E_RNA)
where:
Base-Base interactions energy: -1065.308
where: short stacking energy: -459.586
Base-Backbone interact. energy: 0.079
local terms energy: -546.566285
where:
bonds (distance) C4'-P energy: -112.927
bonds (distance) P-C4' energy: -130.256
flat angles C4'-P-C4' energy: -130.489
flat angles P-C4'-P energy: -80.058
tors. eta vs tors. theta energy: -92.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1165.339891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.339891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.339891 (E_RNA)
where:
Base-Base interactions energy: -691.867
where: short stacking energy: -339.532
Base-Backbone interact. energy: 2.363
local terms energy: -475.835857
where:
bonds (distance) C4'-P energy: -117.997
bonds (distance) P-C4' energy: -131.489
flat angles C4'-P-C4' energy: -108.443
flat angles P-C4'-P energy: -73.359
tors. eta vs tors. theta energy: -44.548
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: 264
Temperature: 1.300000
Total energy: -1062.255080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.255080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.255080 (E_RNA)
where:
Base-Base interactions energy: -620.886
where: short stacking energy: -311.766
Base-Backbone interact. energy: 3.009
local terms energy: -444.377722
where:
bonds (distance) C4'-P energy: -137.741
bonds (distance) P-C4' energy: -104.325
flat angles C4'-P-C4' energy: -104.038
flat angles P-C4'-P energy: -62.415
tors. eta vs tors. theta energy: -35.858
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: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -606.215249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.215249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.215249 (E_RNA)
where:
Base-Base interactions energy: -219.656
where: short stacking energy: -174.191
Base-Backbone interact. energy: 0.191
local terms energy: -386.750569
where:
bonds (distance) C4'-P energy: -126.561
bonds (distance) P-C4' energy: -114.789
flat angles C4'-P-C4' energy: -99.146
flat angles P-C4'-P energy: -63.381
tors. eta vs tors. theta energy: 17.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2727.162425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.162425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.162425 (E_RNA)
where:
Base-Base interactions energy: -1917.877
where: short stacking energy: -768.611
Base-Backbone interact. energy: -6.899
local terms energy: -802.386368
where:
bonds (distance) C4'-P energy: -150.956
bonds (distance) P-C4' energy: -139.732
flat angles C4'-P-C4' energy: -175.258
flat angles P-C4'-P energy: -106.080
tors. eta vs tors. theta energy: -230.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2530.895829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.895829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.895829 (E_RNA)
where:
Base-Base interactions energy: -1760.973
where: short stacking energy: -718.996
Base-Backbone interact. energy: 0.087
local terms energy: -770.010142
where:
bonds (distance) C4'-P energy: -144.959
bonds (distance) P-C4' energy: -126.247
flat angles C4'-P-C4' energy: -169.937
flat angles P-C4'-P energy: -110.328
tors. eta vs tors. theta energy: -218.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -2375.184926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.184926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.184926 (E_RNA)
where:
Base-Base interactions energy: -1623.224
where: short stacking energy: -658.386
Base-Backbone interact. energy: 2.812
local terms energy: -754.773232
where:
bonds (distance) C4'-P energy: -133.863
bonds (distance) P-C4' energy: -157.362
flat angles C4'-P-C4' energy: -175.088
flat angles P-C4'-P energy: -108.382
tors. eta vs tors. theta energy: -180.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -2248.905946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2248.905946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2248.905946 (E_RNA)
where:
Base-Base interactions energy: -1539.081
where: short stacking energy: -622.146
Base-Backbone interact. energy: -2.396
local terms energy: -707.428393
where:
bonds (distance) C4'-P energy: -134.873
bonds (distance) P-C4' energy: -136.188
flat angles C4'-P-C4' energy: -148.306
flat angles P-C4'-P energy: -99.503
tors. eta vs tors. theta energy: -188.559
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: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1957.708383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.708383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.708383 (E_RNA)
where:
Base-Base interactions energy: -1325.048
where: short stacking energy: -568.537
Base-Backbone interact. energy: -3.008
local terms energy: -629.651867
where:
bonds (distance) C4'-P energy: -122.003
bonds (distance) P-C4' energy: -118.895
flat angles C4'-P-C4' energy: -144.821
flat angles P-C4'-P energy: -86.288
tors. eta vs tors. theta energy: -157.644
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: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1762.524657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.524657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.524657 (E_RNA)
where:
Base-Base interactions energy: -1147.905
where: short stacking energy: -489.793
Base-Backbone interact. energy: 1.112
local terms energy: -615.731581
where:
bonds (distance) C4'-P energy: -129.320
bonds (distance) P-C4' energy: -121.049
flat angles C4'-P-C4' energy: -138.882
flat angles P-C4'-P energy: -97.615
tors. eta vs tors. theta energy: -128.867
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: 10
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1644.534724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.534724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.534724 (E_RNA)
where:
Base-Base interactions energy: -1054.745
where: short stacking energy: -469.384
Base-Backbone interact. energy: 0.222
local terms energy: -590.011788
where:
bonds (distance) C4'-P energy: -138.592
bonds (distance) P-C4' energy: -136.212
flat angles C4'-P-C4' energy: -124.849
flat angles P-C4'-P energy: -95.414
tors. eta vs tors. theta energy: -94.945
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: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1119.875058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.875058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.875058 (E_RNA)
where:
Base-Base interactions energy: -647.354
where: short stacking energy: -323.161
Base-Backbone interact. energy: 1.925
local terms energy: -474.445652
where:
bonds (distance) C4'-P energy: -120.810
bonds (distance) P-C4' energy: -131.239
flat angles C4'-P-C4' energy: -118.033
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -35.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1027.461421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.461421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.461421 (E_RNA)
where:
Base-Base interactions energy: -597.470
where: short stacking energy: -295.818
Base-Backbone interact. energy: -3.617
local terms energy: -426.374472
where:
bonds (distance) C4'-P energy: -121.436
bonds (distance) P-C4' energy: -118.494
flat angles C4'-P-C4' energy: -116.935
flat angles P-C4'-P energy: -36.155
tors. eta vs tors. theta energy: -33.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -533.932924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.932924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.932924 (E_RNA)
where:
Base-Base interactions energy: -147.227
where: short stacking energy: -126.901
Base-Backbone interact. energy: 0.862
local terms energy: -387.568001
where:
bonds (distance) C4'-P energy: -131.950
bonds (distance) P-C4' energy: -125.143
flat angles C4'-P-C4' energy: -119.278
flat angles P-C4'-P energy: -48.388
tors. eta vs tors. theta energy: 37.191
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2702.679861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.679861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.679861 (E_RNA)
where:
Base-Base interactions energy: -1866.132
where: short stacking energy: -778.892
Base-Backbone interact. energy: -3.867
local terms energy: -832.680555
where:
bonds (distance) C4'-P energy: -164.259
bonds (distance) P-C4' energy: -163.695
flat angles C4'-P-C4' energy: -175.936
flat angles P-C4'-P energy: -107.448
tors. eta vs tors. theta energy: -221.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2538.670118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.670118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.670118 (E_RNA)
where:
Base-Base interactions energy: -1762.900
where: short stacking energy: -726.599
Base-Backbone interact. energy: -1.134
local terms energy: -774.635732
where:
bonds (distance) C4'-P energy: -146.318
bonds (distance) P-C4' energy: -137.204
flat angles C4'-P-C4' energy: -163.782
flat angles P-C4'-P energy: -106.251
tors. eta vs tors. theta energy: -221.081
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -2350.101643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.101643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.101643 (E_RNA)
where:
Base-Base interactions energy: -1607.663
where: short stacking energy: -676.422
Base-Backbone interact. energy: -0.728
local terms energy: -741.710153
where:
bonds (distance) C4'-P energy: -141.246
bonds (distance) P-C4' energy: -144.984
flat angles C4'-P-C4' energy: -147.272
flat angles P-C4'-P energy: -110.378
tors. eta vs tors. theta energy: -197.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -2259.414895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.414895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.414895 (E_RNA)
where:
Base-Base interactions energy: -1539.671
where: short stacking energy: -674.408
Base-Backbone interact. energy: -1.041
local terms energy: -718.703288
where:
bonds (distance) C4'-P energy: -137.572
bonds (distance) P-C4' energy: -127.632
flat angles C4'-P-C4' energy: -156.103
flat angles P-C4'-P energy: -93.847
tors. eta vs tors. theta energy: -203.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1992.902955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.902955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.902955 (E_RNA)
where:
Base-Base interactions energy: -1335.091
where: short stacking energy: -578.055
Base-Backbone interact. energy: -2.911
local terms energy: -654.900626
where:
bonds (distance) C4'-P energy: -137.203
bonds (distance) P-C4' energy: -118.436
flat angles C4'-P-C4' energy: -146.252
flat angles P-C4'-P energy: -92.388
tors. eta vs tors. theta energy: -160.622
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: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1781.993611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.993611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.993611 (E_RNA)
where:
Base-Base interactions energy: -1157.562
where: short stacking energy: -501.053
Base-Backbone interact. energy: -2.146
local terms energy: -622.285251
where:
bonds (distance) C4'-P energy: -137.927
bonds (distance) P-C4' energy: -119.825
flat angles C4'-P-C4' energy: -127.303
flat angles P-C4'-P energy: -102.508
tors. eta vs tors. theta energy: -134.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1576.004879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.004879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.004879 (E_RNA)
where:
Base-Base interactions energy: -1004.449
where: short stacking energy: -468.012
Base-Backbone interact. energy: 0.009
local terms energy: -571.564745
where:
bonds (distance) C4'-P energy: -130.140
bonds (distance) P-C4' energy: -135.375
flat angles C4'-P-C4' energy: -126.342
flat angles P-C4'-P energy: -75.619
tors. eta vs tors. theta energy: -104.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1141.682446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.682446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.682446 (E_RNA)
where:
Base-Base interactions energy: -647.070
where: short stacking energy: -338.473
Base-Backbone interact. energy: -0.252
local terms energy: -494.360465
where:
bonds (distance) C4'-P energy: -109.620
bonds (distance) P-C4' energy: -134.027
flat angles C4'-P-C4' energy: -116.640
flat angles P-C4'-P energy: -71.961
tors. eta vs tors. theta energy: -62.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1022.524944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.524944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.524944 (E_RNA)
where:
Base-Base interactions energy: -564.105
where: short stacking energy: -290.770
Base-Backbone interact. energy: -1.962
local terms energy: -456.457654
where:
bonds (distance) C4'-P energy: -131.708
bonds (distance) P-C4' energy: -118.971
flat angles C4'-P-C4' energy: -116.655
flat angles P-C4'-P energy: -75.084
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -581.327794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.327794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.327794 (E_RNA)
where:
Base-Base interactions energy: -191.623
where: short stacking energy: -158.061
Base-Backbone interact. energy: -1.577
local terms energy: -388.127097
where:
bonds (distance) C4'-P energy: -113.489
bonds (distance) P-C4' energy: -145.097
flat angles C4'-P-C4' energy: -94.275
flat angles P-C4'-P energy: -50.300
tors. eta vs tors. theta energy: 15.034
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: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2713.324172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.324172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.324172 (E_RNA)
where:
Base-Base interactions energy: -1886.493
where: short stacking energy: -753.888
Base-Backbone interact. energy: -6.453
local terms energy: -820.378179
where:
bonds (distance) C4'-P energy: -143.950
bonds (distance) P-C4' energy: -151.031
flat angles C4'-P-C4' energy: -177.413
flat angles P-C4'-P energy: -115.975
tors. eta vs tors. theta energy: -232.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2548.138110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2548.138110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2548.138110 (E_RNA)
where:
Base-Base interactions energy: -1763.726
where: short stacking energy: -731.870
Base-Backbone interact. energy: -4.373
local terms energy: -780.038926
where:
bonds (distance) C4'-P energy: -122.985
bonds (distance) P-C4' energy: -142.567
flat angles C4'-P-C4' energy: -169.493
flat angles P-C4'-P energy: -121.342
tors. eta vs tors. theta energy: -223.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -2355.308999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.308999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.308999 (E_RNA)
where:
Base-Base interactions energy: -1609.760
where: short stacking energy: -689.589
Base-Backbone interact. energy: -1.447
local terms energy: -744.102212
where:
bonds (distance) C4'-P energy: -131.037
bonds (distance) P-C4' energy: -162.683
flat angles C4'-P-C4' energy: -159.662
flat angles P-C4'-P energy: -101.559
tors. eta vs tors. theta energy: -189.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -2250.323862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.323862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.323862 (E_RNA)
where:
Base-Base interactions energy: -1527.566
where: short stacking energy: -653.523
Base-Backbone interact. energy: 3.069
local terms energy: -725.826705
where:
bonds (distance) C4'-P energy: -126.679
bonds (distance) P-C4' energy: -145.467
flat angles C4'-P-C4' energy: -164.513
flat angles P-C4'-P energy: -81.360
tors. eta vs tors. theta energy: -207.808
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: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -2015.735994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.735994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.735994 (E_RNA)
where:
Base-Base interactions energy: -1348.379
where: short stacking energy: -568.604
Base-Backbone interact. energy: 3.476
local terms energy: -670.832945
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -148.833
flat angles C4'-P-C4' energy: -145.221
flat angles P-C4'-P energy: -95.336
tors. eta vs tors. theta energy: -150.641
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: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1776.823083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.823083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.823083 (E_RNA)
where:
Base-Base interactions energy: -1146.360
where: short stacking energy: -498.158
Base-Backbone interact. energy: -4.451
local terms energy: -626.011911
where:
bonds (distance) C4'-P energy: -119.154
bonds (distance) P-C4' energy: -147.160
flat angles C4'-P-C4' energy: -142.044
flat angles P-C4'-P energy: -90.801
tors. eta vs tors. theta energy: -126.854
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: 267
Temperature: 1.200000
Total energy: -1571.447981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.447981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.447981 (E_RNA)
where:
Base-Base interactions energy: -992.549
where: short stacking energy: -444.893
Base-Backbone interact. energy: -2.633
local terms energy: -576.265953
where:
bonds (distance) C4'-P energy: -145.049
bonds (distance) P-C4' energy: -125.913
flat angles C4'-P-C4' energy: -144.387
flat angles P-C4'-P energy: -69.092
tors. eta vs tors. theta energy: -91.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1149.892753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.892753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.892753 (E_RNA)
where:
Base-Base interactions energy: -649.795
where: short stacking energy: -336.865
Base-Backbone interact. energy: 0.112
local terms energy: -500.209228
where:
bonds (distance) C4'-P energy: -120.517
bonds (distance) P-C4' energy: -140.349
flat angles C4'-P-C4' energy: -118.445
flat angles P-C4'-P energy: -79.300
tors. eta vs tors. theta energy: -41.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1034.363123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.363123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.363123 (E_RNA)
where:
Base-Base interactions energy: -576.953
where: short stacking energy: -308.569
Base-Backbone interact. energy: 1.279
local terms energy: -458.689130
where:
bonds (distance) C4'-P energy: -123.587
bonds (distance) P-C4' energy: -121.393
flat angles C4'-P-C4' energy: -115.674
flat angles P-C4'-P energy: -68.923
tors. eta vs tors. theta energy: -29.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -564.515549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.515549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.515549 (E_RNA)
where:
Base-Base interactions energy: -172.256
where: short stacking energy: -133.255
Base-Backbone interact. energy: -1.429
local terms energy: -390.830877
where:
bonds (distance) C4'-P energy: -104.824
bonds (distance) P-C4' energy: -122.657
flat angles C4'-P-C4' energy: -118.490
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: 33.550
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: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2714.544694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.544694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.544694 (E_RNA)
where:
Base-Base interactions energy: -1902.949
where: short stacking energy: -756.783
Base-Backbone interact. energy: -3.750
local terms energy: -807.845658
where:
bonds (distance) C4'-P energy: -138.222
bonds (distance) P-C4' energy: -154.905
flat angles C4'-P-C4' energy: -163.341
flat angles P-C4'-P energy: -120.754
tors. eta vs tors. theta energy: -230.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2528.793266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.793266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.793266 (E_RNA)
where:
Base-Base interactions energy: -1731.937
where: short stacking energy: -727.669
Base-Backbone interact. energy: 0.177
local terms energy: -797.033330
where:
bonds (distance) C4'-P energy: -150.801
bonds (distance) P-C4' energy: -147.009
flat angles C4'-P-C4' energy: -165.972
flat angles P-C4'-P energy: -114.161
tors. eta vs tors. theta energy: -219.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -2310.577522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.577522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.577522 (E_RNA)
where:
Base-Base interactions energy: -1573.968
where: short stacking energy: -650.847
Base-Backbone interact. energy: -1.830
local terms energy: -734.780062
where:
bonds (distance) C4'-P energy: -128.955
bonds (distance) P-C4' energy: -134.023
flat angles C4'-P-C4' energy: -170.050
flat angles P-C4'-P energy: -114.135
tors. eta vs tors. theta energy: -187.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -2268.663884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.663884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.663884 (E_RNA)
where:
Base-Base interactions energy: -1554.263
where: short stacking energy: -650.294
Base-Backbone interact. energy: -1.794
local terms energy: -712.606574
where:
bonds (distance) C4'-P energy: -130.046
bonds (distance) P-C4' energy: -122.510
flat angles C4'-P-C4' energy: -160.161
flat angles P-C4'-P energy: -105.971
tors. eta vs tors. theta energy: -193.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1994.210341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.210341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.210341 (E_RNA)
where:
Base-Base interactions energy: -1291.263
where: short stacking energy: -560.849
Base-Backbone interact. energy: -3.537
local terms energy: -699.411003
where:
bonds (distance) C4'-P energy: -149.919
bonds (distance) P-C4' energy: -148.119
flat angles C4'-P-C4' energy: -151.976
flat angles P-C4'-P energy: -96.951
tors. eta vs tors. theta energy: -152.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1840.494386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.494386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.494386 (E_RNA)
where:
Base-Base interactions energy: -1194.069
where: short stacking energy: -531.253
Base-Backbone interact. energy: 0.032
local terms energy: -646.456568
where:
bonds (distance) C4'-P energy: -135.937
bonds (distance) P-C4' energy: -140.683
flat angles C4'-P-C4' energy: -144.883
flat angles P-C4'-P energy: -71.802
tors. eta vs tors. theta energy: -153.151
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: 268
Temperature: 1.200000
Total energy: -1545.263765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.263765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.263765 (E_RNA)
where:
Base-Base interactions energy: -972.529
where: short stacking energy: -457.114
Base-Backbone interact. energy: 8.800
local terms energy: -581.534787
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -130.887
flat angles C4'-P-C4' energy: -136.723
flat angles P-C4'-P energy: -99.422
tors. eta vs tors. theta energy: -95.499
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: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1134.425936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.425936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.425936 (E_RNA)
where:
Base-Base interactions energy: -642.521
where: short stacking energy: -318.772
Base-Backbone interact. energy: -1.155
local terms energy: -490.749642
where:
bonds (distance) C4'-P energy: -118.430
bonds (distance) P-C4' energy: -123.531
flat angles C4'-P-C4' energy: -122.705
flat angles P-C4'-P energy: -83.874
tors. eta vs tors. theta energy: -42.210
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: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1073.600643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.600643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.600643 (E_RNA)
where:
Base-Base interactions energy: -610.167
where: short stacking energy: -299.886
Base-Backbone interact. energy: 0.446
local terms energy: -463.878921
where:
bonds (distance) C4'-P energy: -118.132
bonds (distance) P-C4' energy: -131.057
flat angles C4'-P-C4' energy: -123.614
flat angles P-C4'-P energy: -53.378
tors. eta vs tors. theta energy: -37.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -598.495460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.495460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.495460 (E_RNA)
where:
Base-Base interactions energy: -212.099
where: short stacking energy: -134.751
Base-Backbone interact. energy: 5.024
local terms energy: -391.420270
where:
bonds (distance) C4'-P energy: -115.339
bonds (distance) P-C4' energy: -105.286
flat angles C4'-P-C4' energy: -116.511
flat angles P-C4'-P energy: -72.609
tors. eta vs tors. theta energy: 18.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2718.037025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.037025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.037025 (E_RNA)
where:
Base-Base interactions energy: -1890.792
where: short stacking energy: -771.884
Base-Backbone interact. energy: -1.511
local terms energy: -825.733426
where:
bonds (distance) C4'-P energy: -152.753
bonds (distance) P-C4' energy: -161.771
flat angles C4'-P-C4' energy: -162.900
flat angles P-C4'-P energy: -115.356
tors. eta vs tors. theta energy: -232.953
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: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -2525.394175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2525.394175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2525.394175 (E_RNA)
where:
Base-Base interactions energy: -1738.550
where: short stacking energy: -717.599
Base-Backbone interact. energy: -1.810
local terms energy: -785.034211
where:
bonds (distance) C4'-P energy: -136.340
bonds (distance) P-C4' energy: -146.663
flat angles C4'-P-C4' energy: -173.621
flat angles P-C4'-P energy: -113.915
tors. eta vs tors. theta energy: -214.495
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: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -2293.671888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.671888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.671888 (E_RNA)
where:
Base-Base interactions energy: -1568.698
where: short stacking energy: -625.408
Base-Backbone interact. energy: -3.826
local terms energy: -721.148677
where:
bonds (distance) C4'-P energy: -126.357
bonds (distance) P-C4' energy: -146.854
flat angles C4'-P-C4' energy: -163.084
flat angles P-C4'-P energy: -109.896
tors. eta vs tors. theta energy: -174.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -2296.353179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.353179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.353179 (E_RNA)
where:
Base-Base interactions energy: -1583.841
where: short stacking energy: -662.160
Base-Backbone interact. energy: -3.130
local terms energy: -709.382169
where:
bonds (distance) C4'-P energy: -134.444
bonds (distance) P-C4' energy: -128.805
flat angles C4'-P-C4' energy: -158.263
flat angles P-C4'-P energy: -92.101
tors. eta vs tors. theta energy: -195.770
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: 4
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1953.763508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.763508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.763508 (E_RNA)
where:
Base-Base interactions energy: -1288.348
where: short stacking energy: -551.774
Base-Backbone interact. energy: -1.236
local terms energy: -664.178863
where:
bonds (distance) C4'-P energy: -131.372
bonds (distance) P-C4' energy: -129.366
flat angles C4'-P-C4' energy: -150.818
flat angles P-C4'-P energy: -93.356
tors. eta vs tors. theta energy: -159.267
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: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1820.016681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.016681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.016681 (E_RNA)
where:
Base-Base interactions energy: -1156.926
where: short stacking energy: -526.707
Base-Backbone interact. energy: -2.958
local terms energy: -660.133233
where:
bonds (distance) C4'-P energy: -132.201
bonds (distance) P-C4' energy: -152.076
flat angles C4'-P-C4' energy: -143.982
flat angles P-C4'-P energy: -84.392
tors. eta vs tors. theta energy: -147.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1527.265159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.265159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.265159 (E_RNA)
where:
Base-Base interactions energy: -948.433
where: short stacking energy: -409.589
Base-Backbone interact. energy: 1.165
local terms energy: -579.997700
where:
bonds (distance) C4'-P energy: -143.346
bonds (distance) P-C4' energy: -134.791
flat angles C4'-P-C4' energy: -128.909
flat angles P-C4'-P energy: -87.786
tors. eta vs tors. theta energy: -85.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1198.086325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.086325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.086325 (E_RNA)
where:
Base-Base interactions energy: -721.669
where: short stacking energy: -356.744
Base-Backbone interact. energy: -0.635
local terms energy: -475.782312
where:
bonds (distance) C4'-P energy: -115.991
bonds (distance) P-C4' energy: -137.137
flat angles C4'-P-C4' energy: -117.820
flat angles P-C4'-P energy: -60.471
tors. eta vs tors. theta energy: -44.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1042.826321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.826321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.826321 (E_RNA)
where:
Base-Base interactions energy: -598.748
where: short stacking energy: -285.339
Base-Backbone interact. energy: 2.276
local terms energy: -446.354374
where:
bonds (distance) C4'-P energy: -117.501
bonds (distance) P-C4' energy: -111.723
flat angles C4'-P-C4' energy: -109.861
flat angles P-C4'-P energy: -72.427
tors. eta vs tors. theta energy: -34.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -539.051249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.051249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.051249 (E_RNA)
where:
Base-Base interactions energy: -155.344
where: short stacking energy: -131.249
Base-Backbone interact. energy: -2.587
local terms energy: -381.120606
where:
bonds (distance) C4'-P energy: -123.865
bonds (distance) P-C4' energy: -127.650
flat angles C4'-P-C4' energy: -106.425
flat angles P-C4'-P energy: -57.163
tors. eta vs tors. theta energy: 33.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2710.033493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.033493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.033493 (E_RNA)
where:
Base-Base interactions energy: -1865.964
where: short stacking energy: -776.398
Base-Backbone interact. energy: -3.733
local terms energy: -840.336619
where:
bonds (distance) C4'-P energy: -157.036
bonds (distance) P-C4' energy: -159.090
flat angles C4'-P-C4' energy: -176.791
flat angles P-C4'-P energy: -110.937
tors. eta vs tors. theta energy: -236.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -2533.595085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.595085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.595085 (E_RNA)
where:
Base-Base interactions energy: -1744.948
where: short stacking energy: -708.652
Base-Backbone interact. energy: -0.169
local terms energy: -788.477417
where:
bonds (distance) C4'-P energy: -138.479
bonds (distance) P-C4' energy: -146.117
flat angles C4'-P-C4' energy: -163.482
flat angles P-C4'-P energy: -115.527
tors. eta vs tors. theta energy: -224.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -2339.767178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2339.767178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2339.767178 (E_RNA)
where:
Base-Base interactions energy: -1579.515
where: short stacking energy: -684.865
Base-Backbone interact. energy: 2.577
local terms energy: -762.828560
where:
bonds (distance) C4'-P energy: -141.362
bonds (distance) P-C4' energy: -153.602
flat angles C4'-P-C4' energy: -165.497
flat angles P-C4'-P energy: -94.491
tors. eta vs tors. theta energy: -207.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -2213.887846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.887846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.887846 (E_RNA)
where:
Base-Base interactions energy: -1504.350
where: short stacking energy: -600.586
Base-Backbone interact. energy: -2.557
local terms energy: -706.981179
where:
bonds (distance) C4'-P energy: -147.465
bonds (distance) P-C4' energy: -130.649
flat angles C4'-P-C4' energy: -155.263
flat angles P-C4'-P energy: -101.722
tors. eta vs tors. theta energy: -171.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1915.422963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.422963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.422963 (E_RNA)
where:
Base-Base interactions energy: -1258.063
where: short stacking energy: -562.241
Base-Backbone interact. energy: -1.355
local terms energy: -656.005244
where:
bonds (distance) C4'-P energy: -132.668
bonds (distance) P-C4' energy: -142.003
flat angles C4'-P-C4' energy: -140.495
flat angles P-C4'-P energy: -94.398
tors. eta vs tors. theta energy: -146.441
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: 4
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1779.617819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.617819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.617819 (E_RNA)
where:
Base-Base interactions energy: -1191.728
where: short stacking energy: -496.259
Base-Backbone interact. energy: -3.452
local terms energy: -584.437237
where:
bonds (distance) C4'-P energy: -106.483
bonds (distance) P-C4' energy: -125.404
flat angles C4'-P-C4' energy: -150.255
flat angles P-C4'-P energy: -81.059
tors. eta vs tors. theta energy: -121.236
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: 270
Temperature: 1.200000
Total energy: -1523.020007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.020007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.020007 (E_RNA)
where:
Base-Base interactions energy: -953.389
where: short stacking energy: -446.267
Base-Backbone interact. energy: 5.652
local terms energy: -575.282872
where:
bonds (distance) C4'-P energy: -137.813
bonds (distance) P-C4' energy: -149.660
flat angles C4'-P-C4' energy: -110.776
flat angles P-C4'-P energy: -72.731
tors. eta vs tors. theta energy: -104.303
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: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1253.502418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.502418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.502418 (E_RNA)
where:
Base-Base interactions energy: -766.489
where: short stacking energy: -347.718
Base-Backbone interact. energy: -1.837
local terms energy: -485.176109
where:
bonds (distance) C4'-P energy: -116.925
bonds (distance) P-C4' energy: -128.982
flat angles C4'-P-C4' energy: -122.780
flat angles P-C4'-P energy: -62.772
tors. eta vs tors. theta energy: -53.718
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: 9, replica: 7
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1071.543869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.543869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.543869 (E_RNA)
where:
Base-Base interactions energy: -620.354
where: short stacking energy: -297.394
Base-Backbone interact. energy: -2.025
local terms energy: -449.165191
where:
bonds (distance) C4'-P energy: -103.258
bonds (distance) P-C4' energy: -130.038
flat angles C4'-P-C4' energy: -111.886
flat angles P-C4'-P energy: -69.523
tors. eta vs tors. theta energy: -34.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -519.943805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.943805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.943805 (E_RNA)
where:
Base-Base interactions energy: -155.036
where: short stacking energy: -132.116
Base-Backbone interact. energy: 1.703
local terms energy: -366.611250
where:
bonds (distance) C4'-P energy: -119.862
bonds (distance) P-C4' energy: -138.903
flat angles C4'-P-C4' energy: -101.625
flat angles P-C4'-P energy: -50.887
tors. eta vs tors. theta energy: 44.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2700.608427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2700.608427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2700.608427 (E_RNA)
where:
Base-Base interactions energy: -1878.914
where: short stacking energy: -771.108
Base-Backbone interact. energy: -4.255
local terms energy: -817.439289
where:
bonds (distance) C4'-P energy: -140.838
bonds (distance) P-C4' energy: -152.232
flat angles C4'-P-C4' energy: -175.844
flat angles P-C4'-P energy: -117.043
tors. eta vs tors. theta energy: -231.483
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: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -2559.156311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.156311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.156311 (E_RNA)
where:
Base-Base interactions energy: -1767.211
where: short stacking energy: -728.001
Base-Backbone interact. energy: -3.848
local terms energy: -788.097590
where:
bonds (distance) C4'-P energy: -145.128
bonds (distance) P-C4' energy: -152.782
flat angles C4'-P-C4' energy: -168.427
flat angles P-C4'-P energy: -103.643
tors. eta vs tors. theta energy: -218.118
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: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -2338.576720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2338.576720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2338.576720 (E_RNA)
where:
Base-Base interactions energy: -1573.103
where: short stacking energy: -668.363
Base-Backbone interact. energy: -1.383
local terms energy: -764.091298
where:
bonds (distance) C4'-P energy: -149.496
bonds (distance) P-C4' energy: -135.552
flat angles C4'-P-C4' energy: -167.687
flat angles P-C4'-P energy: -99.791
tors. eta vs tors. theta energy: -211.565
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: 271
Temperature: 1.050000
Total energy: -2257.025376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.025376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.025376 (E_RNA)
where:
Base-Base interactions energy: -1530.399
where: short stacking energy: -626.455
Base-Backbone interact. energy: -1.926
local terms energy: -724.700717
where:
bonds (distance) C4'-P energy: -136.197
bonds (distance) P-C4' energy: -138.797
flat angles C4'-P-C4' energy: -161.485
flat angles P-C4'-P energy: -105.852
tors. eta vs tors. theta energy: -182.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -2002.492611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.492611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.492611 (E_RNA)
where:
Base-Base interactions energy: -1313.449
where: short stacking energy: -572.614
Base-Backbone interact. energy: -2.464
local terms energy: -686.579464
where:
bonds (distance) C4'-P energy: -114.253
bonds (distance) P-C4' energy: -146.934
flat angles C4'-P-C4' energy: -153.436
flat angles P-C4'-P energy: -105.576
tors. eta vs tors. theta energy: -166.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1775.380550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.380550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.380550 (E_RNA)
where:
Base-Base interactions energy: -1137.618
where: short stacking energy: -480.400
Base-Backbone interact. energy: -0.182
local terms energy: -637.580692
where:
bonds (distance) C4'-P energy: -136.524
bonds (distance) P-C4' energy: -131.360
flat angles C4'-P-C4' energy: -150.445
flat angles P-C4'-P energy: -91.112
tors. eta vs tors. theta energy: -128.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1563.043740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.043740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.043740 (E_RNA)
where:
Base-Base interactions energy: -996.589
where: short stacking energy: -453.843
Base-Backbone interact. energy: 3.781
local terms energy: -570.235141
where:
bonds (distance) C4'-P energy: -121.897
bonds (distance) P-C4' energy: -140.297
flat angles C4'-P-C4' energy: -119.486
flat angles P-C4'-P energy: -94.047
tors. eta vs tors. theta energy: -94.509
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: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1239.469396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.469396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.469396 (E_RNA)
where:
Base-Base interactions energy: -740.803
where: short stacking energy: -334.587
Base-Backbone interact. energy: 7.912
local terms energy: -506.578451
where:
bonds (distance) C4'-P energy: -122.767
bonds (distance) P-C4' energy: -120.602
flat angles C4'-P-C4' energy: -113.119
flat angles P-C4'-P energy: -90.685
tors. eta vs tors. theta energy: -59.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1096.400512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.400512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.400512 (E_RNA)
where:
Base-Base interactions energy: -645.694
where: short stacking energy: -304.587
Base-Backbone interact. energy: -1.444
local terms energy: -449.261640
where:
bonds (distance) C4'-P energy: -112.780
bonds (distance) P-C4' energy: -120.599
flat angles C4'-P-C4' energy: -121.932
flat angles P-C4'-P energy: -60.401
tors. eta vs tors. theta energy: -33.550
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: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -578.652769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.652769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.652769 (E_RNA)
where:
Base-Base interactions energy: -196.773
where: short stacking energy: -131.687
Base-Backbone interact. energy: 1.013
local terms energy: -382.893092
where:
bonds (distance) C4'-P energy: -103.762
bonds (distance) P-C4' energy: -146.301
flat angles C4'-P-C4' energy: -91.055
flat angles P-C4'-P energy: -63.444
tors. eta vs tors. theta energy: 21.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2682.864640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.864640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.864640 (E_RNA)
where:
Base-Base interactions energy: -1853.157
where: short stacking energy: -748.689
Base-Backbone interact. energy: -5.664
local terms energy: -824.043197
where:
bonds (distance) C4'-P energy: -157.343
bonds (distance) P-C4' energy: -168.522
flat angles C4'-P-C4' energy: -164.251
flat angles P-C4'-P energy: -109.618
tors. eta vs tors. theta energy: -224.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -2540.462060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2540.462060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2540.462060 (E_RNA)
where:
Base-Base interactions energy: -1734.889
where: short stacking energy: -712.095
Base-Backbone interact. energy: -2.020
local terms energy: -803.552503
where:
bonds (distance) C4'-P energy: -165.713
bonds (distance) P-C4' energy: -143.608
flat angles C4'-P-C4' energy: -169.203
flat angles P-C4'-P energy: -113.945
tors. eta vs tors. theta energy: -211.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -2327.240186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.240186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.240186 (E_RNA)
where:
Base-Base interactions energy: -1612.782
where: short stacking energy: -657.811
Base-Backbone interact. energy: -1.329
local terms energy: -713.129475
where:
bonds (distance) C4'-P energy: -128.325
bonds (distance) P-C4' energy: -137.680
flat angles C4'-P-C4' energy: -158.108
flat angles P-C4'-P energy: -98.706
tors. eta vs tors. theta energy: -190.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -2234.054935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2234.054935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2234.054935 (E_RNA)
where:
Base-Base interactions energy: -1503.888
where: short stacking energy: -636.837
Base-Backbone interact. energy: -3.496
local terms energy: -726.670914
where:
bonds (distance) C4'-P energy: -141.540
bonds (distance) P-C4' energy: -137.277
flat angles C4'-P-C4' energy: -161.381
flat angles P-C4'-P energy: -108.144
tors. eta vs tors. theta energy: -178.329
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: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1998.520715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.520715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.520715 (E_RNA)
where:
Base-Base interactions energy: -1306.104
where: short stacking energy: -566.215
Base-Backbone interact. energy: -0.180
local terms energy: -692.236103
where:
bonds (distance) C4'-P energy: -136.646
bonds (distance) P-C4' energy: -144.549
flat angles C4'-P-C4' energy: -144.218
flat angles P-C4'-P energy: -96.423
tors. eta vs tors. theta energy: -170.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1769.388649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.388649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.388649 (E_RNA)
where:
Base-Base interactions energy: -1159.562
where: short stacking energy: -495.481
Base-Backbone interact. energy: -4.387
local terms energy: -605.440213
where:
bonds (distance) C4'-P energy: -126.552
bonds (distance) P-C4' energy: -136.823
flat angles C4'-P-C4' energy: -141.058
flat angles P-C4'-P energy: -83.966
tors. eta vs tors. theta energy: -117.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1549.738868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.738868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.738868 (E_RNA)
where:
Base-Base interactions energy: -960.176
where: short stacking energy: -444.543
Base-Backbone interact. energy: 1.536
local terms energy: -591.098747
where:
bonds (distance) C4'-P energy: -112.995
bonds (distance) P-C4' energy: -137.613
flat angles C4'-P-C4' energy: -118.428
flat angles P-C4'-P energy: -111.446
tors. eta vs tors. theta energy: -110.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1225.435130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.435130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.435130 (E_RNA)
where:
Base-Base interactions energy: -723.627
where: short stacking energy: -343.645
Base-Backbone interact. energy: 1.208
local terms energy: -503.015889
where:
bonds (distance) C4'-P energy: -124.828
bonds (distance) P-C4' energy: -126.192
flat angles C4'-P-C4' energy: -131.139
flat angles P-C4'-P energy: -86.138
tors. eta vs tors. theta energy: -34.719
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: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1066.403160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.403160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.403160 (E_RNA)
where:
Base-Base interactions energy: -600.859
where: short stacking energy: -295.583
Base-Backbone interact. energy: -0.096
local terms energy: -465.448928
where:
bonds (distance) C4'-P energy: -123.724
bonds (distance) P-C4' energy: -112.529
flat angles C4'-P-C4' energy: -118.347
flat angles P-C4'-P energy: -79.137
tors. eta vs tors. theta energy: -31.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -570.464864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.464864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.464864 (E_RNA)
where:
Base-Base interactions energy: -206.200
where: short stacking energy: -143.231
Base-Backbone interact. energy: 4.155
local terms energy: -368.419702
where:
bonds (distance) C4'-P energy: -109.708
bonds (distance) P-C4' energy: -127.439
flat angles C4'-P-C4' energy: -112.328
flat angles P-C4'-P energy: -59.131
tors. eta vs tors. theta energy: 40.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2688.716873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.716873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.716873 (E_RNA)
where:
Base-Base interactions energy: -1861.401
where: short stacking energy: -765.494
Base-Backbone interact. energy: -4.576
local terms energy: -822.738921
where:
bonds (distance) C4'-P energy: -158.512
bonds (distance) P-C4' energy: -143.666
flat angles C4'-P-C4' energy: -173.127
flat angles P-C4'-P energy: -114.275
tors. eta vs tors. theta energy: -233.160
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: 8
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2554.560338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.560338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.560338 (E_RNA)
where:
Base-Base interactions energy: -1766.371
where: short stacking energy: -710.163
Base-Backbone interact. energy: -0.778
local terms energy: -787.411704
where:
bonds (distance) C4'-P energy: -140.003
bonds (distance) P-C4' energy: -155.755
flat angles C4'-P-C4' energy: -159.948
flat angles P-C4'-P energy: -111.114
tors. eta vs tors. theta energy: -220.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -2348.920376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.920376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.920376 (E_RNA)
where:
Base-Base interactions energy: -1611.373
where: short stacking energy: -663.234
Base-Backbone interact. energy: -0.614
local terms energy: -736.933627
where:
bonds (distance) C4'-P energy: -145.247
bonds (distance) P-C4' energy: -132.687
flat angles C4'-P-C4' energy: -163.611
flat angles P-C4'-P energy: -98.144
tors. eta vs tors. theta energy: -197.244
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: 9
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -2258.812649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.812649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.812649 (E_RNA)
where:
Base-Base interactions energy: -1532.264
where: short stacking energy: -616.805
Base-Backbone interact. energy: -2.280
local terms energy: -724.268189
where:
bonds (distance) C4'-P energy: -131.048
bonds (distance) P-C4' energy: -133.113
flat angles C4'-P-C4' energy: -170.468
flat angles P-C4'-P energy: -102.652
tors. eta vs tors. theta energy: -186.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1982.573782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.573782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.573782 (E_RNA)
where:
Base-Base interactions energy: -1319.128
where: short stacking energy: -574.316
Base-Backbone interact. energy: 1.887
local terms energy: -665.332744
where:
bonds (distance) C4'-P energy: -129.233
bonds (distance) P-C4' energy: -130.509
flat angles C4'-P-C4' energy: -155.418
flat angles P-C4'-P energy: -84.546
tors. eta vs tors. theta energy: -165.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1919.003634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.003634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.003634 (E_RNA)
where:
Base-Base interactions energy: -1269.077
where: short stacking energy: -533.757
Base-Backbone interact. energy: -1.802
local terms energy: -648.124337
where:
bonds (distance) C4'-P energy: -128.155
bonds (distance) P-C4' energy: -158.015
flat angles C4'-P-C4' energy: -146.995
flat angles P-C4'-P energy: -73.303
tors. eta vs tors. theta energy: -141.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1612.793725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.793725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.793725 (E_RNA)
where:
Base-Base interactions energy: -993.304
where: short stacking energy: -459.381
Base-Backbone interact. energy: -2.030
local terms energy: -617.459902
where:
bonds (distance) C4'-P energy: -127.686
bonds (distance) P-C4' energy: -144.937
flat angles C4'-P-C4' energy: -142.823
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -122.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1207.130158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.130158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.130158 (E_RNA)
where:
Base-Base interactions energy: -721.862
where: short stacking energy: -349.155
Base-Backbone interact. energy: -2.286
local terms energy: -482.982569
where:
bonds (distance) C4'-P energy: -127.571
bonds (distance) P-C4' energy: -122.436
flat angles C4'-P-C4' energy: -123.536
flat angles P-C4'-P energy: -65.793
tors. eta vs tors. theta energy: -43.647
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: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1047.918915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.918915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.918915 (E_RNA)
where:
Base-Base interactions energy: -598.536
where: short stacking energy: -292.250
Base-Backbone interact. energy: 5.278
local terms energy: -454.660452
where:
bonds (distance) C4'-P energy: -88.256
bonds (distance) P-C4' energy: -120.988
flat angles C4'-P-C4' energy: -127.459
flat angles P-C4'-P energy: -76.328
tors. eta vs tors. theta energy: -41.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -541.185622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.185622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.185622 (E_RNA)
where:
Base-Base interactions energy: -179.135
where: short stacking energy: -132.203
Base-Backbone interact. energy: -3.314
local terms energy: -358.736559
where:
bonds (distance) C4'-P energy: -116.323
bonds (distance) P-C4' energy: -129.259
flat angles C4'-P-C4' energy: -110.331
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: 40.014
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: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2682.006002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.006002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.006002 (E_RNA)
where:
Base-Base interactions energy: -1863.152
where: short stacking energy: -769.655
Base-Backbone interact. energy: -1.153
local terms energy: -817.701574
where:
bonds (distance) C4'-P energy: -145.244
bonds (distance) P-C4' energy: -158.618
flat angles C4'-P-C4' energy: -171.036
flat angles P-C4'-P energy: -107.151
tors. eta vs tors. theta energy: -235.653
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: 8
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2554.558864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.558864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.558864 (E_RNA)
where:
Base-Base interactions energy: -1737.870
where: short stacking energy: -716.504
Base-Backbone interact. energy: -5.518
local terms energy: -811.170674
where:
bonds (distance) C4'-P energy: -151.804
bonds (distance) P-C4' energy: -152.469
flat angles C4'-P-C4' energy: -169.494
flat angles P-C4'-P energy: -112.268
tors. eta vs tors. theta energy: -225.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -2343.798574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.798574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.798574 (E_RNA)
where:
Base-Base interactions energy: -1616.750
where: short stacking energy: -650.289
Base-Backbone interact. energy: -1.243
local terms energy: -725.806024
where:
bonds (distance) C4'-P energy: -139.341
bonds (distance) P-C4' energy: -145.562
flat angles C4'-P-C4' energy: -162.567
flat angles P-C4'-P energy: -92.363
tors. eta vs tors. theta energy: -185.972
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: 274
Temperature: 1.050000
Total energy: -2223.298687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2223.298687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2223.298687 (E_RNA)
where:
Base-Base interactions energy: -1529.485
where: short stacking energy: -618.979
Base-Backbone interact. energy: 2.966
local terms energy: -696.780063
where:
bonds (distance) C4'-P energy: -108.590
bonds (distance) P-C4' energy: -138.263
flat angles C4'-P-C4' energy: -169.591
flat angles P-C4'-P energy: -99.601
tors. eta vs tors. theta energy: -180.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -2010.181629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.181629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.181629 (E_RNA)
where:
Base-Base interactions energy: -1330.434
where: short stacking energy: -582.618
Base-Backbone interact. energy: 0.731
local terms energy: -680.478403
where:
bonds (distance) C4'-P energy: -139.201
bonds (distance) P-C4' energy: -134.447
flat angles C4'-P-C4' energy: -157.537
flat angles P-C4'-P energy: -86.056
tors. eta vs tors. theta energy: -163.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1920.949749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.949749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.949749 (E_RNA)
where:
Base-Base interactions energy: -1301.860
where: short stacking energy: -542.502
Base-Backbone interact. energy: 0.212
local terms energy: -619.301529
where:
bonds (distance) C4'-P energy: -137.780
bonds (distance) P-C4' energy: -118.984
flat angles C4'-P-C4' energy: -147.476
flat angles P-C4'-P energy: -67.886
tors. eta vs tors. theta energy: -147.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1602.768188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.768188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.768188 (E_RNA)
where:
Base-Base interactions energy: -998.708
where: short stacking energy: -466.456
Base-Backbone interact. energy: 4.870
local terms energy: -608.930922
where:
bonds (distance) C4'-P energy: -124.077
bonds (distance) P-C4' energy: -139.810
flat angles C4'-P-C4' energy: -136.037
flat angles P-C4'-P energy: -86.830
tors. eta vs tors. theta energy: -122.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1247.511405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.511405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.511405 (E_RNA)
where:
Base-Base interactions energy: -717.036
where: short stacking energy: -344.485
Base-Backbone interact. energy: 0.005
local terms energy: -530.480239
where:
bonds (distance) C4'-P energy: -131.506
bonds (distance) P-C4' energy: -148.961
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -87.435
tors. eta vs tors. theta energy: -46.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1090.888672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.888672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.888672 (E_RNA)
where:
Base-Base interactions energy: -623.186
where: short stacking energy: -310.494
Base-Backbone interact. energy: -3.475
local terms energy: -464.228119
where:
bonds (distance) C4'-P energy: -125.660
bonds (distance) P-C4' energy: -127.758
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -72.178
tors. eta vs tors. theta energy: -32.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -640.988082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.988082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.988082 (E_RNA)
where:
Base-Base interactions energy: -237.111
where: short stacking energy: -169.705
Base-Backbone interact. energy: 5.219
local terms energy: -409.096069
where:
bonds (distance) C4'-P energy: -121.023
bonds (distance) P-C4' energy: -118.459
flat angles C4'-P-C4' energy: -100.505
flat angles P-C4'-P energy: -73.307
tors. eta vs tors. theta energy: 4.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2713.300761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.300761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.300761 (E_RNA)
where:
Base-Base interactions energy: -1904.364
where: short stacking energy: -777.582
Base-Backbone interact. energy: 0.716
local terms energy: -809.653205
where:
bonds (distance) C4'-P energy: -143.061
bonds (distance) P-C4' energy: -149.036
flat angles C4'-P-C4' energy: -173.184
flat angles P-C4'-P energy: -105.989
tors. eta vs tors. theta energy: -238.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2566.869829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.869829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.869829 (E_RNA)
where:
Base-Base interactions energy: -1778.633
where: short stacking energy: -733.785
Base-Backbone interact. energy: -1.153
local terms energy: -787.083074
where:
bonds (distance) C4'-P energy: -137.449
bonds (distance) P-C4' energy: -167.506
flat angles C4'-P-C4' energy: -157.722
flat angles P-C4'-P energy: -113.622
tors. eta vs tors. theta energy: -210.784
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: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -2360.563007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2360.563007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2360.563007 (E_RNA)
where:
Base-Base interactions energy: -1602.117
where: short stacking energy: -686.946
Base-Backbone interact. energy: -5.652
local terms energy: -752.793780
where:
bonds (distance) C4'-P energy: -143.231
bonds (distance) P-C4' energy: -138.447
flat angles C4'-P-C4' energy: -162.280
flat angles P-C4'-P energy: -109.804
tors. eta vs tors. theta energy: -199.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -2226.971384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.971384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.971384 (E_RNA)
where:
Base-Base interactions energy: -1531.865
where: short stacking energy: -608.647
Base-Backbone interact. energy: -1.055
local terms energy: -694.051685
where:
bonds (distance) C4'-P energy: -122.418
bonds (distance) P-C4' energy: -140.327
flat angles C4'-P-C4' energy: -149.192
flat angles P-C4'-P energy: -98.618
tors. eta vs tors. theta energy: -183.497
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: 275
Temperature: 1.100000
Total energy: -1971.804764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.804764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.804764 (E_RNA)
where:
Base-Base interactions energy: -1289.568
where: short stacking energy: -555.261
Base-Backbone interact. energy: -2.175
local terms energy: -680.062056
where:
bonds (distance) C4'-P energy: -136.957
bonds (distance) P-C4' energy: -146.735
flat angles C4'-P-C4' energy: -155.263
flat angles P-C4'-P energy: -90.053
tors. eta vs tors. theta energy: -151.054
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: 275
Temperature: 1.150000
Total energy: -1881.674364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.674364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.674364 (E_RNA)
where:
Base-Base interactions energy: -1240.117
where: short stacking energy: -511.139
Base-Backbone interact. energy: -0.835
local terms energy: -640.722377
where:
bonds (distance) C4'-P energy: -133.559
bonds (distance) P-C4' energy: -142.524
flat angles C4'-P-C4' energy: -141.460
flat angles P-C4'-P energy: -82.434
tors. eta vs tors. theta energy: -140.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1594.901819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.901819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.901819 (E_RNA)
where:
Base-Base interactions energy: -1020.935
where: short stacking energy: -450.412
Base-Backbone interact. energy: 4.718
local terms energy: -578.684345
where:
bonds (distance) C4'-P energy: -114.401
bonds (distance) P-C4' energy: -140.477
flat angles C4'-P-C4' energy: -130.721
flat angles P-C4'-P energy: -76.906
tors. eta vs tors. theta energy: -116.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1244.394319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.394319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.394319 (E_RNA)
where:
Base-Base interactions energy: -764.999
where: short stacking energy: -347.549
Base-Backbone interact. energy: -0.553
local terms energy: -478.842448
where:
bonds (distance) C4'-P energy: -116.492
bonds (distance) P-C4' energy: -137.100
flat angles C4'-P-C4' energy: -107.735
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -37.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1073.643428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.643428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.643428 (E_RNA)
where:
Base-Base interactions energy: -589.542
where: short stacking energy: -286.243
Base-Backbone interact. energy: -0.193
local terms energy: -483.908387
where:
bonds (distance) C4'-P energy: -121.609
bonds (distance) P-C4' energy: -130.161
flat angles C4'-P-C4' energy: -127.526
flat angles P-C4'-P energy: -81.014
tors. eta vs tors. theta energy: -23.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -578.694497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.694497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.694497 (E_RNA)
where:
Base-Base interactions energy: -213.755
where: short stacking energy: -147.515
Base-Backbone interact. energy: 2.647
local terms energy: -367.586445
where:
bonds (distance) C4'-P energy: -108.099
bonds (distance) P-C4' energy: -128.461
flat angles C4'-P-C4' energy: -110.289
flat angles P-C4'-P energy: -56.649
tors. eta vs tors. theta energy: 35.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2730.218580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.218580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.218580 (E_RNA)
where:
Base-Base interactions energy: -1882.434
where: short stacking energy: -774.018
Base-Backbone interact. energy: -6.251
local terms energy: -841.533775
where:
bonds (distance) C4'-P energy: -146.327
bonds (distance) P-C4' energy: -152.220
flat angles C4'-P-C4' energy: -184.439
flat angles P-C4'-P energy: -120.295
tors. eta vs tors. theta energy: -238.253
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: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2547.199299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.199299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.199299 (E_RNA)
where:
Base-Base interactions energy: -1759.920
where: short stacking energy: -723.052
Base-Backbone interact. energy: -2.897
local terms energy: -784.382673
where:
bonds (distance) C4'-P energy: -137.721
bonds (distance) P-C4' energy: -148.480
flat angles C4'-P-C4' energy: -165.657
flat angles P-C4'-P energy: -121.082
tors. eta vs tors. theta energy: -211.443
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: 3, replica: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -2376.518259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2376.518259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2376.518259 (E_RNA)
where:
Base-Base interactions energy: -1634.226
where: short stacking energy: -681.354
Base-Backbone interact. energy: -1.985
local terms energy: -740.307021
where:
bonds (distance) C4'-P energy: -125.169
bonds (distance) P-C4' energy: -141.271
flat angles C4'-P-C4' energy: -168.978
flat angles P-C4'-P energy: -92.234
tors. eta vs tors. theta energy: -212.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -2261.589093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2261.589093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2261.589093 (E_RNA)
where:
Base-Base interactions energy: -1537.111
where: short stacking energy: -650.966
Base-Backbone interact. energy: -5.661
local terms energy: -718.817140
where:
bonds (distance) C4'-P energy: -152.162
bonds (distance) P-C4' energy: -128.678
flat angles C4'-P-C4' energy: -163.632
flat angles P-C4'-P energy: -94.669
tors. eta vs tors. theta energy: -179.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -2028.124022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.124022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.124022 (E_RNA)
where:
Base-Base interactions energy: -1360.923
where: short stacking energy: -565.184
Base-Backbone interact. energy: -2.673
local terms energy: -664.528452
where:
bonds (distance) C4'-P energy: -128.914
bonds (distance) P-C4' energy: -135.348
flat angles C4'-P-C4' energy: -152.132
flat angles P-C4'-P energy: -86.901
tors. eta vs tors. theta energy: -161.234
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: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1773.037401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.037401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.037401 (E_RNA)
where:
Base-Base interactions energy: -1196.071
where: short stacking energy: -507.556
Base-Backbone interact. energy: 2.278
local terms energy: -579.244073
where:
bonds (distance) C4'-P energy: -146.289
bonds (distance) P-C4' energy: -138.815
flat angles C4'-P-C4' energy: -119.660
flat angles P-C4'-P energy: -78.358
tors. eta vs tors. theta energy: -96.122
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: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1620.979546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.979546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.979546 (E_RNA)
where:
Base-Base interactions energy: -1048.658
where: short stacking energy: -442.707
Base-Backbone interact. energy: -1.770
local terms energy: -570.551591
where:
bonds (distance) C4'-P energy: -114.958
bonds (distance) P-C4' energy: -139.341
flat angles C4'-P-C4' energy: -125.256
flat angles P-C4'-P energy: -82.894
tors. eta vs tors. theta energy: -108.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1226.921098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.921098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.921098 (E_RNA)
where:
Base-Base interactions energy: -715.273
where: short stacking energy: -359.556
Base-Backbone interact. energy: -0.784
local terms energy: -510.863711
where:
bonds (distance) C4'-P energy: -108.824
bonds (distance) P-C4' energy: -131.683
flat angles C4'-P-C4' energy: -123.998
flat angles P-C4'-P energy: -91.937
tors. eta vs tors. theta energy: -54.421
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: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1013.027586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.027586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.027586 (E_RNA)
where:
Base-Base interactions energy: -590.917
where: short stacking energy: -300.271
Base-Backbone interact. energy: 1.494
local terms energy: -423.603950
where:
bonds (distance) C4'-P energy: -112.652
bonds (distance) P-C4' energy: -114.186
flat angles C4'-P-C4' energy: -103.796
flat angles P-C4'-P energy: -51.926
tors. eta vs tors. theta energy: -41.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -590.870446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.870446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.870446 (E_RNA)
where:
Base-Base interactions energy: -210.221
where: short stacking energy: -146.371
Base-Backbone interact. energy: 4.168
local terms energy: -384.817317
where:
bonds (distance) C4'-P energy: -118.352
bonds (distance) P-C4' energy: -146.467
flat angles C4'-P-C4' energy: -104.882
flat angles P-C4'-P energy: -60.422
tors. eta vs tors. theta energy: 45.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2697.037575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.037575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.037575 (E_RNA)
where:
Base-Base interactions energy: -1865.709
where: short stacking energy: -752.540
Base-Backbone interact. energy: -1.162
local terms energy: -830.166232
where:
bonds (distance) C4'-P energy: -148.688
bonds (distance) P-C4' energy: -159.774
flat angles C4'-P-C4' energy: -182.310
flat angles P-C4'-P energy: -113.747
tors. eta vs tors. theta energy: -225.646
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: 2, replica: 8
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2526.657536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2526.657536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2526.657536 (E_RNA)
where:
Base-Base interactions energy: -1743.474
where: short stacking energy: -715.810
Base-Backbone interact. energy: -3.087
local terms energy: -780.096332
where:
bonds (distance) C4'-P energy: -134.761
bonds (distance) P-C4' energy: -154.212
flat angles C4'-P-C4' energy: -182.431
flat angles P-C4'-P energy: -108.832
tors. eta vs tors. theta energy: -199.860
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2359.798726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2359.798726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2359.798726 (E_RNA)
where:
Base-Base interactions energy: -1608.883
where: short stacking energy: -682.503
Base-Backbone interact. energy: -2.805
local terms energy: -748.111259
where:
bonds (distance) C4'-P energy: -130.950
bonds (distance) P-C4' energy: -141.197
flat angles C4'-P-C4' energy: -169.887
flat angles P-C4'-P energy: -97.557
tors. eta vs tors. theta energy: -208.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -2244.489956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.489956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.489956 (E_RNA)
where:
Base-Base interactions energy: -1529.357
where: short stacking energy: -619.442
Base-Backbone interact. energy: -2.994
local terms energy: -712.138622
where:
bonds (distance) C4'-P energy: -143.825
bonds (distance) P-C4' energy: -144.881
flat angles C4'-P-C4' energy: -147.426
flat angles P-C4'-P energy: -94.700
tors. eta vs tors. theta energy: -181.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -2131.766384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.766384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.766384 (E_RNA)
where:
Base-Base interactions energy: -1421.162
where: short stacking energy: -628.101
Base-Backbone interact. energy: 0.992
local terms energy: -711.596756
where:
bonds (distance) C4'-P energy: -123.476
bonds (distance) P-C4' energy: -148.413
flat angles C4'-P-C4' energy: -159.575
flat angles P-C4'-P energy: -94.970
tors. eta vs tors. theta energy: -185.163
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: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1743.270129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.270129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.270129 (E_RNA)
where:
Base-Base interactions energy: -1125.187
where: short stacking energy: -511.150
Base-Backbone interact. energy: -2.678
local terms energy: -615.405256
where:
bonds (distance) C4'-P energy: -124.058
bonds (distance) P-C4' energy: -137.825
flat angles C4'-P-C4' energy: -145.500
flat angles P-C4'-P energy: -77.689
tors. eta vs tors. theta energy: -130.333
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: 277
Temperature: 1.200000
Total energy: -1624.957020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.957020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.957020 (E_RNA)
where:
Base-Base interactions energy: -1070.460
where: short stacking energy: -470.803
Base-Backbone interact. energy: 1.239
local terms energy: -555.735761
where:
bonds (distance) C4'-P energy: -122.050
bonds (distance) P-C4' energy: -137.734
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -68.569
tors. eta vs tors. theta energy: -109.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1197.997203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.997203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.997203 (E_RNA)
where:
Base-Base interactions energy: -704.334
where: short stacking energy: -307.482
Base-Backbone interact. energy: 3.764
local terms energy: -497.427557
where:
bonds (distance) C4'-P energy: -117.861
bonds (distance) P-C4' energy: -130.475
flat angles C4'-P-C4' energy: -103.330
flat angles P-C4'-P energy: -87.334
tors. eta vs tors. theta energy: -58.428
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: 9, replica: 7
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1015.004393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.004393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.004393 (E_RNA)
where:
Base-Base interactions energy: -564.267
where: short stacking energy: -275.647
Base-Backbone interact. energy: 3.041
local terms energy: -453.778831
where:
bonds (distance) C4'-P energy: -115.241
bonds (distance) P-C4' energy: -113.089
flat angles C4'-P-C4' energy: -112.410
flat angles P-C4'-P energy: -73.735
tors. eta vs tors. theta energy: -39.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -674.993369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.993369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.993369 (E_RNA)
where:
Base-Base interactions energy: -257.397
where: short stacking energy: -176.262
Base-Backbone interact. energy: -0.614
local terms energy: -416.982084
where:
bonds (distance) C4'-P energy: -110.996
bonds (distance) P-C4' energy: -132.664
flat angles C4'-P-C4' energy: -129.247
flat angles P-C4'-P energy: -61.583
tors. eta vs tors. theta energy: 17.508
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: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2669.895138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.895138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.895138 (E_RNA)
where:
Base-Base interactions energy: -1849.758
where: short stacking energy: -743.646
Base-Backbone interact. energy: -2.529
local terms energy: -817.607653
where:
bonds (distance) C4'-P energy: -140.277
bonds (distance) P-C4' energy: -152.110
flat angles C4'-P-C4' energy: -184.954
flat angles P-C4'-P energy: -122.588
tors. eta vs tors. theta energy: -217.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -2514.765110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.765110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.765110 (E_RNA)
where:
Base-Base interactions energy: -1734.830
where: short stacking energy: -708.539
Base-Backbone interact. energy: -2.834
local terms energy: -777.100957
where:
bonds (distance) C4'-P energy: -140.207
bonds (distance) P-C4' energy: -145.470
flat angles C4'-P-C4' energy: -166.244
flat angles P-C4'-P energy: -108.643
tors. eta vs tors. theta energy: -216.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2377.796306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.796306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.796306 (E_RNA)
where:
Base-Base interactions energy: -1622.883
where: short stacking energy: -678.477
Base-Backbone interact. energy: -1.395
local terms energy: -753.518777
where:
bonds (distance) C4'-P energy: -145.227
bonds (distance) P-C4' energy: -135.941
flat angles C4'-P-C4' energy: -164.555
flat angles P-C4'-P energy: -108.011
tors. eta vs tors. theta energy: -199.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -2240.355547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2240.355547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2240.355547 (E_RNA)
where:
Base-Base interactions energy: -1530.503
where: short stacking energy: -628.184
Base-Backbone interact. energy: -2.563
local terms energy: -707.289514
where:
bonds (distance) C4'-P energy: -122.239
bonds (distance) P-C4' energy: -149.084
flat angles C4'-P-C4' energy: -151.602
flat angles P-C4'-P energy: -95.228
tors. eta vs tors. theta energy: -189.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -2151.417476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2151.417476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2151.417476 (E_RNA)
where:
Base-Base interactions energy: -1434.889
where: short stacking energy: -628.440
Base-Backbone interact. energy: 5.959
local terms energy: -722.487422
where:
bonds (distance) C4'-P energy: -140.301
bonds (distance) P-C4' energy: -126.182
flat angles C4'-P-C4' energy: -170.092
flat angles P-C4'-P energy: -106.724
tors. eta vs tors. theta energy: -179.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1723.758235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.758235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.758235 (E_RNA)
where:
Base-Base interactions energy: -1109.955
where: short stacking energy: -480.196
Base-Backbone interact. energy: -1.061
local terms energy: -612.742253
where:
bonds (distance) C4'-P energy: -145.922
bonds (distance) P-C4' energy: -127.393
flat angles C4'-P-C4' energy: -133.704
flat angles P-C4'-P energy: -84.360
tors. eta vs tors. theta energy: -121.363
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: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1578.690227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.690227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.690227 (E_RNA)
where:
Base-Base interactions energy: -994.643
where: short stacking energy: -428.612
Base-Backbone interact. energy: -3.518
local terms energy: -580.529773
where:
bonds (distance) C4'-P energy: -110.444
bonds (distance) P-C4' energy: -127.904
flat angles C4'-P-C4' energy: -157.911
flat angles P-C4'-P energy: -86.448
tors. eta vs tors. theta energy: -97.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1246.850939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.850939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.850939 (E_RNA)
where:
Base-Base interactions energy: -746.772
where: short stacking energy: -362.888
Base-Backbone interact. energy: 4.172
local terms energy: -504.250726
where:
bonds (distance) C4'-P energy: -109.690
bonds (distance) P-C4' energy: -137.533
flat angles C4'-P-C4' energy: -119.840
flat angles P-C4'-P energy: -85.577
tors. eta vs tors. theta energy: -51.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1028.864362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.864362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.864362 (E_RNA)
where:
Base-Base interactions energy: -560.265
where: short stacking energy: -281.501
Base-Backbone interact. energy: -1.753
local terms energy: -466.846291
where:
bonds (distance) C4'-P energy: -152.251
bonds (distance) P-C4' energy: -126.361
flat angles C4'-P-C4' energy: -108.817
flat angles P-C4'-P energy: -57.620
tors. eta vs tors. theta energy: -21.797
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: 10, replica: 1
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -644.320412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.320412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.320412 (E_RNA)
where:
Base-Base interactions energy: -282.473
where: short stacking energy: -193.278
Base-Backbone interact. energy: 4.563
local terms energy: -366.410522
where:
bonds (distance) C4'-P energy: -120.824
bonds (distance) P-C4' energy: -125.559
flat angles C4'-P-C4' energy: -88.325
flat angles P-C4'-P energy: -51.164
tors. eta vs tors. theta energy: 19.462
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: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2680.797771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.797771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.797771 (E_RNA)
where:
Base-Base interactions energy: -1872.582
where: short stacking energy: -749.377
Base-Backbone interact. energy: -5.271
local terms energy: -802.945553
where:
bonds (distance) C4'-P energy: -143.363
bonds (distance) P-C4' energy: -151.883
flat angles C4'-P-C4' energy: -177.969
flat angles P-C4'-P energy: -100.449
tors. eta vs tors. theta energy: -229.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2523.905850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.905850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.905850 (E_RNA)
where:
Base-Base interactions energy: -1745.491
where: short stacking energy: -696.298
Base-Backbone interact. energy: 2.891
local terms energy: -781.305518
where:
bonds (distance) C4'-P energy: -144.500
bonds (distance) P-C4' energy: -152.987
flat angles C4'-P-C4' energy: -170.811
flat angles P-C4'-P energy: -104.740
tors. eta vs tors. theta energy: -208.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -2365.902185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2365.902185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2365.902185 (E_RNA)
where:
Base-Base interactions energy: -1633.478
where: short stacking energy: -689.522
Base-Backbone interact. energy: 0.065
local terms energy: -732.489108
where:
bonds (distance) C4'-P energy: -142.335
bonds (distance) P-C4' energy: -128.994
flat angles C4'-P-C4' energy: -158.861
flat angles P-C4'-P energy: -107.788
tors. eta vs tors. theta energy: -194.511
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: 9
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -2272.576611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2272.576611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2272.576611 (E_RNA)
where:
Base-Base interactions energy: -1549.427
where: short stacking energy: -643.637
Base-Backbone interact. energy: -3.710
local terms energy: -719.439126
where:
bonds (distance) C4'-P energy: -135.442
bonds (distance) P-C4' energy: -146.418
flat angles C4'-P-C4' energy: -138.982
flat angles P-C4'-P energy: -105.146
tors. eta vs tors. theta energy: -193.450
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: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -2091.513854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.513854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.513854 (E_RNA)
where:
Base-Base interactions energy: -1392.282
where: short stacking energy: -613.695
Base-Backbone interact. energy: 0.084
local terms energy: -699.315629
where:
bonds (distance) C4'-P energy: -117.001
bonds (distance) P-C4' energy: -137.780
flat angles C4'-P-C4' energy: -149.921
flat angles P-C4'-P energy: -101.231
tors. eta vs tors. theta energy: -193.382
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: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1764.041513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.041513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.041513 (E_RNA)
where:
Base-Base interactions energy: -1145.309
where: short stacking energy: -524.358
Base-Backbone interact. energy: 1.643
local terms energy: -620.374730
where:
bonds (distance) C4'-P energy: -129.103
bonds (distance) P-C4' energy: -132.164
flat angles C4'-P-C4' energy: -147.456
flat angles P-C4'-P energy: -91.046
tors. eta vs tors. theta energy: -120.605
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: 279
Temperature: 1.200000
Total energy: -1435.321298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.321298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.321298 (E_RNA)
where:
Base-Base interactions energy: -908.757
where: short stacking energy: -400.347
Base-Backbone interact. energy: 1.199
local terms energy: -527.763260
where:
bonds (distance) C4'-P energy: -115.270
bonds (distance) P-C4' energy: -131.454
flat angles C4'-P-C4' energy: -138.075
flat angles P-C4'-P energy: -75.234
tors. eta vs tors. theta energy: -67.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -1272.916084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.916084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.916084 (E_RNA)
where:
Base-Base interactions energy: -780.360
where: short stacking energy: -368.844
Base-Backbone interact. energy: 0.645
local terms energy: -493.201517
where:
bonds (distance) C4'-P energy: -105.171
bonds (distance) P-C4' energy: -129.848
flat angles C4'-P-C4' energy: -113.129
flat angles P-C4'-P energy: -86.159
tors. eta vs tors. theta energy: -58.894
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: 9, replica: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1090.534631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.534631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.534631 (E_RNA)
where:
Base-Base interactions energy: -662.779
where: short stacking energy: -350.929
Base-Backbone interact. energy: 3.157
local terms energy: -430.913325
where:
bonds (distance) C4'-P energy: -105.749
bonds (distance) P-C4' energy: -112.677
flat angles C4'-P-C4' energy: -108.330
flat angles P-C4'-P energy: -52.337
tors. eta vs tors. theta energy: -51.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -670.586492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.586492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.586492 (E_RNA)
where:
Base-Base interactions energy: -266.010
where: short stacking energy: -197.904
Base-Backbone interact. energy: 3.405
local terms energy: -407.981325
where:
bonds (distance) C4'-P energy: -128.441
bonds (distance) P-C4' energy: -124.669
flat angles C4'-P-C4' energy: -106.834
flat angles P-C4'-P energy: -53.594
tors. eta vs tors. theta energy: 5.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2726.846280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.846280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.846280 (E_RNA)
where:
Base-Base interactions energy: -1898.935
where: short stacking energy: -764.280
Base-Backbone interact. energy: -8.558
local terms energy: -819.353603
where:
bonds (distance) C4'-P energy: -165.868
bonds (distance) P-C4' energy: -151.290
flat angles C4'-P-C4' energy: -162.981
flat angles P-C4'-P energy: -104.022
tors. eta vs tors. theta energy: -235.192
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: 8
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2521.734874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.734874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.734874 (E_RNA)
where:
Base-Base interactions energy: -1754.542
where: short stacking energy: -719.418
Base-Backbone interact. energy: 6.873
local terms energy: -774.066757
where:
bonds (distance) C4'-P energy: -147.244
bonds (distance) P-C4' energy: -144.445
flat angles C4'-P-C4' energy: -152.388
flat angles P-C4'-P energy: -119.914
tors. eta vs tors. theta energy: -210.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2323.942970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.942970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.942970 (E_RNA)
where:
Base-Base interactions energy: -1585.102
where: short stacking energy: -675.311
Base-Backbone interact. energy: -0.120
local terms energy: -738.720646
where:
bonds (distance) C4'-P energy: -147.458
bonds (distance) P-C4' energy: -125.191
flat angles C4'-P-C4' energy: -157.125
flat angles P-C4'-P energy: -116.071
tors. eta vs tors. theta energy: -192.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -2252.758561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2252.758561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2252.758561 (E_RNA)
where:
Base-Base interactions energy: -1543.803
where: short stacking energy: -626.844
Base-Backbone interact. energy: -1.033
local terms energy: -707.922507
where:
bonds (distance) C4'-P energy: -130.341
bonds (distance) P-C4' energy: -153.102
flat angles C4'-P-C4' energy: -141.483
flat angles P-C4'-P energy: -99.340
tors. eta vs tors. theta energy: -183.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -2159.678108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2159.678108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2159.678108 (E_RNA)
where:
Base-Base interactions energy: -1430.641
where: short stacking energy: -632.870
Base-Backbone interact. energy: 7.818
local terms energy: -736.855019
where:
bonds (distance) C4'-P energy: -134.740
bonds (distance) P-C4' energy: -141.239
flat angles C4'-P-C4' energy: -155.900
flat angles P-C4'-P energy: -109.714
tors. eta vs tors. theta energy: -195.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1672.405208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.405208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.405208 (E_RNA)
where:
Base-Base interactions energy: -1056.644
where: short stacking energy: -492.009
Base-Backbone interact. energy: -0.412
local terms energy: -615.349422
where:
bonds (distance) C4'-P energy: -122.209
bonds (distance) P-C4' energy: -126.977
flat angles C4'-P-C4' energy: -149.450
flat angles P-C4'-P energy: -87.817
tors. eta vs tors. theta energy: -128.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1472.042790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.042790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.042790 (E_RNA)
where:
Base-Base interactions energy: -904.937
where: short stacking energy: -412.013
Base-Backbone interact. energy: -0.487
local terms energy: -566.618418
where:
bonds (distance) C4'-P energy: -140.793
bonds (distance) P-C4' energy: -123.956
flat angles C4'-P-C4' energy: -139.814
flat angles P-C4'-P energy: -73.219
tors. eta vs tors. theta energy: -88.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1316.973027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.973027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.973027 (E_RNA)
where:
Base-Base interactions energy: -797.803
where: short stacking energy: -352.965
Base-Backbone interact. energy: 2.189
local terms energy: -521.359481
where:
bonds (distance) C4'-P energy: -123.599
bonds (distance) P-C4' energy: -142.563
flat angles C4'-P-C4' energy: -120.057
flat angles P-C4'-P energy: -71.731
tors. eta vs tors. theta energy: -63.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1069.887309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.887309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.887309 (E_RNA)
where:
Base-Base interactions energy: -603.548
where: short stacking energy: -300.475
Base-Backbone interact. energy: 2.741
local terms energy: -469.080108
where:
bonds (distance) C4'-P energy: -115.542
bonds (distance) P-C4' energy: -132.426
flat angles C4'-P-C4' energy: -120.278
flat angles P-C4'-P energy: -55.877
tors. eta vs tors. theta energy: -44.957
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: 1
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -616.931961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.931961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.931961 (E_RNA)
where:
Base-Base interactions energy: -236.664
where: short stacking energy: -152.138
Base-Backbone interact. energy: -3.626
local terms energy: -376.642014
where:
bonds (distance) C4'-P energy: -137.944
bonds (distance) P-C4' energy: -98.051
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -61.975
tors. eta vs tors. theta energy: 30.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2683.554136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.554136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.554136 (E_RNA)
where:
Base-Base interactions energy: -1869.750
where: short stacking energy: -752.894
Base-Backbone interact. energy: -3.059
local terms energy: -810.745325
where:
bonds (distance) C4'-P energy: -142.974
bonds (distance) P-C4' energy: -156.996
flat angles C4'-P-C4' energy: -166.000
flat angles P-C4'-P energy: -116.831
tors. eta vs tors. theta energy: -227.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2550.563904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.563904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.563904 (E_RNA)
where:
Base-Base interactions energy: -1765.458
where: short stacking energy: -738.052
Base-Backbone interact. energy: -2.361
local terms energy: -782.744733
where:
bonds (distance) C4'-P energy: -138.663
bonds (distance) P-C4' energy: -158.672
flat angles C4'-P-C4' energy: -157.771
flat angles P-C4'-P energy: -110.079
tors. eta vs tors. theta energy: -217.559
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: 3
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -2303.869230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.869230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.869230 (E_RNA)
where:
Base-Base interactions energy: -1557.928
where: short stacking energy: -653.090
Base-Backbone interact. energy: -0.914
local terms energy: -745.027482
where:
bonds (distance) C4'-P energy: -136.545
bonds (distance) P-C4' energy: -152.394
flat angles C4'-P-C4' energy: -154.530
flat angles P-C4'-P energy: -105.892
tors. eta vs tors. theta energy: -195.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -2212.210636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.210636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.210636 (E_RNA)
where:
Base-Base interactions energy: -1493.259
where: short stacking energy: -647.732
Base-Backbone interact. energy: -0.805
local terms energy: -718.146345
where:
bonds (distance) C4'-P energy: -125.341
bonds (distance) P-C4' energy: -152.470
flat angles C4'-P-C4' energy: -144.581
flat angles P-C4'-P energy: -93.222
tors. eta vs tors. theta energy: -202.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -2138.857850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.857850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.857850 (E_RNA)
where:
Base-Base interactions energy: -1467.337
where: short stacking energy: -578.004
Base-Backbone interact. energy: 4.158
local terms energy: -675.678249
where:
bonds (distance) C4'-P energy: -136.974
bonds (distance) P-C4' energy: -134.706
flat angles C4'-P-C4' energy: -139.489
flat angles P-C4'-P energy: -108.466
tors. eta vs tors. theta energy: -156.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1659.707725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.707725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.707725 (E_RNA)
where:
Base-Base interactions energy: -1048.952
where: short stacking energy: -470.353
Base-Backbone interact. energy: -1.345
local terms energy: -609.410244
where:
bonds (distance) C4'-P energy: -128.582
bonds (distance) P-C4' energy: -149.797
flat angles C4'-P-C4' energy: -139.075
flat angles P-C4'-P energy: -84.369
tors. eta vs tors. theta energy: -107.586
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: 281
Temperature: 1.200000
Total energy: -1478.106095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.106095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.106095 (E_RNA)
where:
Base-Base interactions energy: -927.595
where: short stacking energy: -410.662
Base-Backbone interact. energy: 3.535
local terms energy: -554.046004
where:
bonds (distance) C4'-P energy: -130.876
bonds (distance) P-C4' energy: -132.737
flat angles C4'-P-C4' energy: -128.208
flat angles P-C4'-P energy: -83.421
tors. eta vs tors. theta energy: -78.804
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: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1283.248215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.248215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.248215 (E_RNA)
where:
Base-Base interactions energy: -783.043
where: short stacking energy: -372.726
Base-Backbone interact. energy: -0.956
local terms energy: -499.249157
where:
bonds (distance) C4'-P energy: -124.997
bonds (distance) P-C4' energy: -128.317
flat angles C4'-P-C4' energy: -106.156
flat angles P-C4'-P energy: -68.200
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: 7
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1026.428007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.428007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.428007 (E_RNA)
where:
Base-Base interactions energy: -587.598
where: short stacking energy: -275.368
Base-Backbone interact. energy: -0.026
local terms energy: -438.804080
where:
bonds (distance) C4'-P energy: -110.598
bonds (distance) P-C4' energy: -129.429
flat angles C4'-P-C4' energy: -107.313
flat angles P-C4'-P energy: -61.236
tors. eta vs tors. theta energy: -30.228
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: 1
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -615.509848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.509848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.509848 (E_RNA)
where:
Base-Base interactions energy: -228.225
where: short stacking energy: -131.441
Base-Backbone interact. energy: -1.875
local terms energy: -385.410203
where:
bonds (distance) C4'-P energy: -126.780
bonds (distance) P-C4' energy: -140.744
flat angles C4'-P-C4' energy: -88.051
flat angles P-C4'-P energy: -62.109
tors. eta vs tors. theta energy: 32.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2675.964551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.964551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.964551 (E_RNA)
where:
Base-Base interactions energy: -1867.971
where: short stacking energy: -749.013
Base-Backbone interact. energy: -2.470
local terms energy: -805.524107
where:
bonds (distance) C4'-P energy: -144.384
bonds (distance) P-C4' energy: -159.761
flat angles C4'-P-C4' energy: -175.699
flat angles P-C4'-P energy: -107.660
tors. eta vs tors. theta energy: -218.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2503.430878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2503.430878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2503.430878 (E_RNA)
where:
Base-Base interactions energy: -1725.125
where: short stacking energy: -705.168
Base-Backbone interact. energy: -3.057
local terms energy: -775.248840
where:
bonds (distance) C4'-P energy: -121.893
bonds (distance) P-C4' energy: -149.945
flat angles C4'-P-C4' energy: -164.504
flat angles P-C4'-P energy: -122.247
tors. eta vs tors. theta energy: -216.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -2344.798532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.798532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.798532 (E_RNA)
where:
Base-Base interactions energy: -1575.327
where: short stacking energy: -682.760
Base-Backbone interact. energy: 0.515
local terms energy: -769.986514
where:
bonds (distance) C4'-P energy: -162.928
bonds (distance) P-C4' energy: -138.478
flat angles C4'-P-C4' energy: -168.949
flat angles P-C4'-P energy: -102.171
tors. eta vs tors. theta energy: -197.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -2212.026251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.026251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.026251 (E_RNA)
where:
Base-Base interactions energy: -1462.671
where: short stacking energy: -641.430
Base-Backbone interact. energy: -3.069
local terms energy: -746.286237
where:
bonds (distance) C4'-P energy: -154.630
bonds (distance) P-C4' energy: -148.498
flat angles C4'-P-C4' energy: -158.987
flat angles P-C4'-P energy: -100.546
tors. eta vs tors. theta energy: -183.626
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: 9
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -2113.621971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.621971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.621971 (E_RNA)
where:
Base-Base interactions energy: -1432.270
where: short stacking energy: -592.106
Base-Backbone interact. energy: -0.412
local terms energy: -680.940148
where:
bonds (distance) C4'-P energy: -106.737
bonds (distance) P-C4' energy: -150.731
flat angles C4'-P-C4' energy: -161.067
flat angles P-C4'-P energy: -102.188
tors. eta vs tors. theta energy: -160.218
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: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1662.181304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.181304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.181304 (E_RNA)
where:
Base-Base interactions energy: -1066.347
where: short stacking energy: -491.758
Base-Backbone interact. energy: 0.711
local terms energy: -596.544963
where:
bonds (distance) C4'-P energy: -127.032
bonds (distance) P-C4' energy: -136.703
flat angles C4'-P-C4' energy: -129.283
flat angles P-C4'-P energy: -75.460
tors. eta vs tors. theta energy: -128.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1467.002707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.002707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.002707 (E_RNA)
where:
Base-Base interactions energy: -895.448
where: short stacking energy: -395.443
Base-Backbone interact. energy: -0.823
local terms energy: -570.732298
where:
bonds (distance) C4'-P energy: -133.099
bonds (distance) P-C4' energy: -132.510
flat angles C4'-P-C4' energy: -142.799
flat angles P-C4'-P energy: -85.098
tors. eta vs tors. theta energy: -77.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1269.602982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.602982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.602982 (E_RNA)
where:
Base-Base interactions energy: -791.205
where: short stacking energy: -368.852
Base-Backbone interact. energy: 4.438
local terms energy: -482.836170
where:
bonds (distance) C4'-P energy: -128.684
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -116.656
flat angles P-C4'-P energy: -76.421
tors. eta vs tors. theta energy: -61.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1020.615798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.615798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.615798 (E_RNA)
where:
Base-Base interactions energy: -558.702
where: short stacking energy: -277.463
Base-Backbone interact. energy: 5.830
local terms energy: -467.743655
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -144.369
flat angles C4'-P-C4' energy: -122.161
flat angles P-C4'-P energy: -70.605
tors. eta vs tors. theta energy: -6.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -636.730509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.730509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.730509 (E_RNA)
where:
Base-Base interactions energy: -254.063
where: short stacking energy: -154.843
Base-Backbone interact. energy: -2.159
local terms energy: -380.508439
where:
bonds (distance) C4'-P energy: -120.073
bonds (distance) P-C4' energy: -127.864
flat angles C4'-P-C4' energy: -107.027
flat angles P-C4'-P energy: -42.386
tors. eta vs tors. theta energy: 16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2681.990926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.990926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.990926 (E_RNA)
where:
Base-Base interactions energy: -1893.189
where: short stacking energy: -768.210
Base-Backbone interact. energy: 1.436
local terms energy: -790.237722
where:
bonds (distance) C4'-P energy: -140.471
bonds (distance) P-C4' energy: -155.510
flat angles C4'-P-C4' energy: -161.880
flat angles P-C4'-P energy: -103.066
tors. eta vs tors. theta energy: -229.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2532.038446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.038446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.038446 (E_RNA)
where:
Base-Base interactions energy: -1778.955
where: short stacking energy: -721.320
Base-Backbone interact. energy: 0.856
local terms energy: -753.939779
where:
bonds (distance) C4'-P energy: -129.897
bonds (distance) P-C4' energy: -137.102
flat angles C4'-P-C4' energy: -163.572
flat angles P-C4'-P energy: -109.882
tors. eta vs tors. theta energy: -213.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -2333.019243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.019243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.019243 (E_RNA)
where:
Base-Base interactions energy: -1611.692
where: short stacking energy: -686.449
Base-Backbone interact. energy: -1.464
local terms energy: -719.862757
where:
bonds (distance) C4'-P energy: -139.813
bonds (distance) P-C4' energy: -137.771
flat angles C4'-P-C4' energy: -149.913
flat angles P-C4'-P energy: -96.910
tors. eta vs tors. theta energy: -195.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -2227.193579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.193579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.193579 (E_RNA)
where:
Base-Base interactions energy: -1470.653
where: short stacking energy: -646.926
Base-Backbone interact. energy: -1.430
local terms energy: -755.110084
where:
bonds (distance) C4'-P energy: -137.137
bonds (distance) P-C4' energy: -143.960
flat angles C4'-P-C4' energy: -145.647
flat angles P-C4'-P energy: -118.926
tors. eta vs tors. theta energy: -209.439
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: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -2173.360944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2173.360944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2173.360944 (E_RNA)
where:
Base-Base interactions energy: -1502.190
where: short stacking energy: -590.975
Base-Backbone interact. energy: -2.519
local terms energy: -668.651788
where:
bonds (distance) C4'-P energy: -133.020
bonds (distance) P-C4' energy: -136.085
flat angles C4'-P-C4' energy: -153.816
flat angles P-C4'-P energy: -79.747
tors. eta vs tors. theta energy: -165.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1652.816121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.816121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.816121 (E_RNA)
where:
Base-Base interactions energy: -1051.142
where: short stacking energy: -469.409
Base-Backbone interact. energy: 2.182
local terms energy: -603.855740
where:
bonds (distance) C4'-P energy: -107.609
bonds (distance) P-C4' energy: -151.305
flat angles C4'-P-C4' energy: -148.490
flat angles P-C4'-P energy: -86.197
tors. eta vs tors. theta energy: -110.255
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: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1499.889390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.889390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.889390 (E_RNA)
where:
Base-Base interactions energy: -941.504
where: short stacking energy: -420.523
Base-Backbone interact. energy: 1.976
local terms energy: -560.360586
where:
bonds (distance) C4'-P energy: -140.171
bonds (distance) P-C4' energy: -129.340
flat angles C4'-P-C4' energy: -121.105
flat angles P-C4'-P energy: -83.521
tors. eta vs tors. theta energy: -86.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1351.266940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.266940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.266940 (E_RNA)
where:
Base-Base interactions energy: -832.412
where: short stacking energy: -405.573
Base-Backbone interact. energy: 0.733
local terms energy: -519.587461
where:
bonds (distance) C4'-P energy: -104.320
bonds (distance) P-C4' energy: -139.505
flat angles C4'-P-C4' energy: -135.357
flat angles P-C4'-P energy: -57.296
tors. eta vs tors. theta energy: -83.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1000.848570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.848570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.848570 (E_RNA)
where:
Base-Base interactions energy: -546.706
where: short stacking energy: -301.472
Base-Backbone interact. energy: -0.053
local terms energy: -454.089589
where:
bonds (distance) C4'-P energy: -119.691
bonds (distance) P-C4' energy: -130.799
flat angles C4'-P-C4' energy: -105.031
flat angles P-C4'-P energy: -71.335
tors. eta vs tors. theta energy: -27.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -638.270623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.270623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.270623 (E_RNA)
where:
Base-Base interactions energy: -273.129
where: short stacking energy: -175.523
Base-Backbone interact. energy: -1.148
local terms energy: -363.994557
where:
bonds (distance) C4'-P energy: -123.045
bonds (distance) P-C4' energy: -105.282
flat angles C4'-P-C4' energy: -90.061
flat angles P-C4'-P energy: -58.793
tors. eta vs tors. theta energy: 13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2730.532033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2730.532033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2730.532033 (E_RNA)
where:
Base-Base interactions energy: -1894.156
where: short stacking energy: -766.333
Base-Backbone interact. energy: -1.117
local terms energy: -835.258369
where:
bonds (distance) C4'-P energy: -160.176
bonds (distance) P-C4' energy: -147.913
flat angles C4'-P-C4' energy: -172.985
flat angles P-C4'-P energy: -112.466
tors. eta vs tors. theta energy: -241.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2499.331767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.331767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.331767 (E_RNA)
where:
Base-Base interactions energy: -1729.923
where: short stacking energy: -692.442
Base-Backbone interact. energy: -4.668
local terms energy: -764.741484
where:
bonds (distance) C4'-P energy: -130.413
bonds (distance) P-C4' energy: -150.665
flat angles C4'-P-C4' energy: -163.586
flat angles P-C4'-P energy: -112.528
tors. eta vs tors. theta energy: -207.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -2367.849234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.849234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.849234 (E_RNA)
where:
Base-Base interactions energy: -1625.308
where: short stacking energy: -674.349
Base-Backbone interact. energy: -6.421
local terms energy: -736.120393
where:
bonds (distance) C4'-P energy: -138.224
bonds (distance) P-C4' energy: -154.670
flat angles C4'-P-C4' energy: -159.266
flat angles P-C4'-P energy: -83.092
tors. eta vs tors. theta energy: -200.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -2269.407337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.407337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.407337 (E_RNA)
where:
Base-Base interactions energy: -1545.489
where: short stacking energy: -664.875
Base-Backbone interact. energy: -1.889
local terms energy: -722.029200
where:
bonds (distance) C4'-P energy: -123.625
bonds (distance) P-C4' energy: -132.373
flat angles C4'-P-C4' energy: -167.147
flat angles P-C4'-P energy: -95.572
tors. eta vs tors. theta energy: -203.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -2188.487018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2188.487018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2188.487018 (E_RNA)
where:
Base-Base interactions energy: -1517.919
where: short stacking energy: -618.327
Base-Backbone interact. energy: -2.532
local terms energy: -668.036150
where:
bonds (distance) C4'-P energy: -125.998
bonds (distance) P-C4' energy: -126.896
flat angles C4'-P-C4' energy: -155.452
flat angles P-C4'-P energy: -80.754
tors. eta vs tors. theta energy: -178.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1675.730573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.730573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.730573 (E_RNA)
where:
Base-Base interactions energy: -1072.210
where: short stacking energy: -504.101
Base-Backbone interact. energy: -3.367
local terms energy: -600.153184
where:
bonds (distance) C4'-P energy: -107.078
bonds (distance) P-C4' energy: -147.719
flat angles C4'-P-C4' energy: -142.029
flat angles P-C4'-P energy: -80.945
tors. eta vs tors. theta energy: -122.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1442.810439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.810439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.810439 (E_RNA)
where:
Base-Base interactions energy: -860.915
where: short stacking energy: -384.290
Base-Backbone interact. energy: -3.512
local terms energy: -578.383486
where:
bonds (distance) C4'-P energy: -125.768
bonds (distance) P-C4' energy: -146.802
flat angles C4'-P-C4' energy: -116.871
flat angles P-C4'-P energy: -105.426
tors. eta vs tors. theta energy: -83.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1285.741731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.741731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.741731 (E_RNA)
where:
Base-Base interactions energy: -754.572
where: short stacking energy: -347.375
Base-Backbone interact. energy: -0.288
local terms energy: -530.881901
where:
bonds (distance) C4'-P energy: -101.551
bonds (distance) P-C4' energy: -148.778
flat angles C4'-P-C4' energy: -123.675
flat angles P-C4'-P energy: -79.783
tors. eta vs tors. theta energy: -77.095
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: 7
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1063.796750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.796750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.796750 (E_RNA)
where:
Base-Base interactions energy: -614.847
where: short stacking energy: -294.086
Base-Backbone interact. energy: 1.147
local terms energy: -450.096877
where:
bonds (distance) C4'-P energy: -121.597
bonds (distance) P-C4' energy: -111.685
flat angles C4'-P-C4' energy: -105.694
flat angles P-C4'-P energy: -72.410
tors. eta vs tors. theta energy: -38.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -634.679182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.679182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.679182 (E_RNA)
where:
Base-Base interactions energy: -268.533
where: short stacking energy: -184.183
Base-Backbone interact. energy: 0.087
local terms energy: -366.232805
where:
bonds (distance) C4'-P energy: -108.355
bonds (distance) P-C4' energy: -142.298
flat angles C4'-P-C4' energy: -99.185
flat angles P-C4'-P energy: -51.019
tors. eta vs tors. theta energy: 34.624
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: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2728.022192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.022192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.022192 (E_RNA)
where:
Base-Base interactions energy: -1873.209
where: short stacking energy: -776.616
Base-Backbone interact. energy: -4.021
local terms energy: -850.791380
where:
bonds (distance) C4'-P energy: -155.998
bonds (distance) P-C4' energy: -152.198
flat angles C4'-P-C4' energy: -187.921
flat angles P-C4'-P energy: -118.476
tors. eta vs tors. theta energy: -236.198
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: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2533.612333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2533.612333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2533.612333 (E_RNA)
where:
Base-Base interactions energy: -1753.513
where: short stacking energy: -718.870
Base-Backbone interact. energy: -1.216
local terms energy: -778.883708
where:
bonds (distance) C4'-P energy: -148.589
bonds (distance) P-C4' energy: -133.821
flat angles C4'-P-C4' energy: -165.848
flat angles P-C4'-P energy: -116.744
tors. eta vs tors. theta energy: -213.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -2330.924544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.924544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.924544 (E_RNA)
where:
Base-Base interactions energy: -1614.263
where: short stacking energy: -663.030
Base-Backbone interact. energy: -2.191
local terms energy: -714.470384
where:
bonds (distance) C4'-P energy: -129.070
bonds (distance) P-C4' energy: -141.040
flat angles C4'-P-C4' energy: -162.105
flat angles P-C4'-P energy: -98.969
tors. eta vs tors. theta energy: -183.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -2275.929116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2275.929116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2275.929116 (E_RNA)
where:
Base-Base interactions energy: -1547.413
where: short stacking energy: -641.966
Base-Backbone interact. energy: -3.991
local terms energy: -724.524498
where:
bonds (distance) C4'-P energy: -139.741
bonds (distance) P-C4' energy: -125.381
flat angles C4'-P-C4' energy: -159.487
flat angles P-C4'-P energy: -101.187
tors. eta vs tors. theta energy: -198.728
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: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -2189.525764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2189.525764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2189.525764 (E_RNA)
where:
Base-Base interactions energy: -1480.524
where: short stacking energy: -624.053
Base-Backbone interact. energy: -2.440
local terms energy: -706.562657
where:
bonds (distance) C4'-P energy: -127.643
bonds (distance) P-C4' energy: -136.778
flat angles C4'-P-C4' energy: -153.698
flat angles P-C4'-P energy: -108.764
tors. eta vs tors. theta energy: -179.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1687.168819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.168819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.168819 (E_RNA)
where:
Base-Base interactions energy: -1052.536
where: short stacking energy: -486.189
Base-Backbone interact. energy: -1.604
local terms energy: -633.028551
where:
bonds (distance) C4'-P energy: -150.073
bonds (distance) P-C4' energy: -139.045
flat angles C4'-P-C4' energy: -137.219
flat angles P-C4'-P energy: -84.601
tors. eta vs tors. theta energy: -122.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1516.120671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.120671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.120671 (E_RNA)
where:
Base-Base interactions energy: -950.887
where: short stacking energy: -409.385
Base-Backbone interact. energy: -2.658
local terms energy: -562.575370
where:
bonds (distance) C4'-P energy: -115.054
bonds (distance) P-C4' energy: -131.665
flat angles C4'-P-C4' energy: -137.754
flat angles P-C4'-P energy: -75.190
tors. eta vs tors. theta energy: -102.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1423.193973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.193973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.193973 (E_RNA)
where:
Base-Base interactions energy: -864.394
where: short stacking energy: -417.223
Base-Backbone interact. energy: -3.350
local terms energy: -555.450760
where:
bonds (distance) C4'-P energy: -134.791
bonds (distance) P-C4' energy: -134.314
flat angles C4'-P-C4' energy: -140.876
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: -78.733
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: 7
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1038.292712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.292712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.292712 (E_RNA)
where:
Base-Base interactions energy: -561.056
where: short stacking energy: -279.528
Base-Backbone interact. energy: -1.635
local terms energy: -475.601986
where:
bonds (distance) C4'-P energy: -116.121
bonds (distance) P-C4' energy: -112.550
flat angles C4'-P-C4' energy: -121.678
flat angles P-C4'-P energy: -83.910
tors. eta vs tors. theta energy: -41.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -661.125974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.125974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.125974 (E_RNA)
where:
Base-Base interactions energy: -275.262
where: short stacking energy: -167.488
Base-Backbone interact. energy: 3.049
local terms energy: -388.912955
where:
bonds (distance) C4'-P energy: -103.619
bonds (distance) P-C4' energy: -124.716
flat angles C4'-P-C4' energy: -98.148
flat angles P-C4'-P energy: -83.127
tors. eta vs tors. theta energy: 20.697
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: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2690.123036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.123036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.123036 (E_RNA)
where:
Base-Base interactions energy: -1870.973
where: short stacking energy: -745.550
Base-Backbone interact. energy: -5.341
local terms energy: -813.809184
where:
bonds (distance) C4'-P energy: -148.118
bonds (distance) P-C4' energy: -148.066
flat angles C4'-P-C4' energy: -172.056
flat angles P-C4'-P energy: -112.941
tors. eta vs tors. theta energy: -232.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2552.938911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.938911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.938911 (E_RNA)
where:
Base-Base interactions energy: -1744.441
where: short stacking energy: -706.593
Base-Backbone interact. energy: -3.452
local terms energy: -805.046219
where:
bonds (distance) C4'-P energy: -152.722
bonds (distance) P-C4' energy: -148.391
flat angles C4'-P-C4' energy: -170.976
flat angles P-C4'-P energy: -118.192
tors. eta vs tors. theta energy: -214.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -2340.999561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2340.999561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2340.999561 (E_RNA)
where:
Base-Base interactions energy: -1579.022
where: short stacking energy: -698.427
Base-Backbone interact. energy: 6.154
local terms energy: -768.132255
where:
bonds (distance) C4'-P energy: -153.772
bonds (distance) P-C4' energy: -147.086
flat angles C4'-P-C4' energy: -164.574
flat angles P-C4'-P energy: -92.115
tors. eta vs tors. theta energy: -210.585
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: 286
Temperature: 1.050000
Total energy: -2300.081237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.081237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.081237 (E_RNA)
where:
Base-Base interactions energy: -1578.764
where: short stacking energy: -691.424
Base-Backbone interact. energy: -1.555
local terms energy: -719.762574
where:
bonds (distance) C4'-P energy: -126.354
bonds (distance) P-C4' energy: -117.474
flat angles C4'-P-C4' energy: -169.137
flat angles P-C4'-P energy: -105.153
tors. eta vs tors. theta energy: -201.644
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: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -2176.199287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2176.199287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2176.199287 (E_RNA)
where:
Base-Base interactions energy: -1472.879
where: short stacking energy: -574.461
Base-Backbone interact. energy: -2.702
local terms energy: -700.618504
where:
bonds (distance) C4'-P energy: -126.421
bonds (distance) P-C4' energy: -159.947
flat angles C4'-P-C4' energy: -148.405
flat angles P-C4'-P energy: -98.532
tors. eta vs tors. theta energy: -167.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1751.350864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.350864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.350864 (E_RNA)
where:
Base-Base interactions energy: -1121.299
where: short stacking energy: -498.947
Base-Backbone interact. energy: -0.569
local terms energy: -629.482612
where:
bonds (distance) C4'-P energy: -122.697
bonds (distance) P-C4' energy: -151.194
flat angles C4'-P-C4' energy: -147.554
flat angles P-C4'-P energy: -91.003
tors. eta vs tors. theta energy: -117.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1581.026034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.026034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.026034 (E_RNA)
where:
Base-Base interactions energy: -1008.009
where: short stacking energy: -460.229
Base-Backbone interact. energy: -0.510
local terms energy: -572.507407
where:
bonds (distance) C4'-P energy: -119.587
bonds (distance) P-C4' energy: -122.495
flat angles C4'-P-C4' energy: -133.223
flat angles P-C4'-P energy: -70.688
tors. eta vs tors. theta energy: -126.514
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1412.464988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.464988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.464988 (E_RNA)
where:
Base-Base interactions energy: -870.085
where: short stacking energy: -399.617
Base-Backbone interact. energy: 1.471
local terms energy: -543.851151
where:
bonds (distance) C4'-P energy: -124.124
bonds (distance) P-C4' energy: -105.718
flat angles C4'-P-C4' energy: -135.019
flat angles P-C4'-P energy: -81.678
tors. eta vs tors. theta energy: -97.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1064.008199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.008199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.008199 (E_RNA)
where:
Base-Base interactions energy: -615.471
where: short stacking energy: -288.004
Base-Backbone interact. energy: 4.401
local terms energy: -452.938535
where:
bonds (distance) C4'-P energy: -123.836
bonds (distance) P-C4' energy: -119.327
flat angles C4'-P-C4' energy: -117.002
flat angles P-C4'-P energy: -68.477
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -673.313160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.313160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.313160 (E_RNA)
where:
Base-Base interactions energy: -284.940
where: short stacking energy: -199.482
Base-Backbone interact. energy: -2.952
local terms energy: -385.421336
where:
bonds (distance) C4'-P energy: -114.220
bonds (distance) P-C4' energy: -113.922
flat angles C4'-P-C4' energy: -111.129
flat angles P-C4'-P energy: -53.155
tors. eta vs tors. theta energy: 7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2721.178088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.178088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.178088 (E_RNA)
where:
Base-Base interactions energy: -1905.136
where: short stacking energy: -790.481
Base-Backbone interact. energy: -7.984
local terms energy: -808.057904
where:
bonds (distance) C4'-P energy: -142.243
bonds (distance) P-C4' energy: -144.585
flat angles C4'-P-C4' energy: -163.651
flat angles P-C4'-P energy: -122.803
tors. eta vs tors. theta energy: -234.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2535.361721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.361721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.361721 (E_RNA)
where:
Base-Base interactions energy: -1758.409
where: short stacking energy: -679.609
Base-Backbone interact. energy: -1.721
local terms energy: -775.231634
where:
bonds (distance) C4'-P energy: -148.153
bonds (distance) P-C4' energy: -153.415
flat angles C4'-P-C4' energy: -157.368
flat angles P-C4'-P energy: -101.107
tors. eta vs tors. theta energy: -215.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -2356.152887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.152887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.152887 (E_RNA)
where:
Base-Base interactions energy: -1623.126
where: short stacking energy: -688.864
Base-Backbone interact. energy: -0.624
local terms energy: -732.403176
where:
bonds (distance) C4'-P energy: -126.254
bonds (distance) P-C4' energy: -135.552
flat angles C4'-P-C4' energy: -159.029
flat angles P-C4'-P energy: -102.681
tors. eta vs tors. theta energy: -208.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -2263.566587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2263.566587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2263.566587 (E_RNA)
where:
Base-Base interactions energy: -1522.282
where: short stacking energy: -669.686
Base-Backbone interact. energy: 0.646
local terms energy: -741.930177
where:
bonds (distance) C4'-P energy: -137.111
bonds (distance) P-C4' energy: -144.690
flat angles C4'-P-C4' energy: -154.878
flat angles P-C4'-P energy: -107.523
tors. eta vs tors. theta energy: -197.728
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: 9
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -2145.786517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2145.786517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2145.786517 (E_RNA)
where:
Base-Base interactions energy: -1467.844
where: short stacking energy: -597.330
Base-Backbone interact. energy: -1.447
local terms energy: -676.494973
where:
bonds (distance) C4'-P energy: -126.465
bonds (distance) P-C4' energy: -136.900
flat angles C4'-P-C4' energy: -142.771
flat angles P-C4'-P energy: -103.917
tors. eta vs tors. theta energy: -166.441
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: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1588.103165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.103165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.103165 (E_RNA)
where:
Base-Base interactions energy: -1011.176
where: short stacking energy: -461.081
Base-Backbone interact. energy: -2.858
local terms energy: -574.069158
where:
bonds (distance) C4'-P energy: -125.984
bonds (distance) P-C4' energy: -147.241
flat angles C4'-P-C4' energy: -119.813
flat angles P-C4'-P energy: -81.545
tors. eta vs tors. theta energy: -99.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1672.789665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.789665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.789665 (E_RNA)
where:
Base-Base interactions energy: -1096.638
where: short stacking energy: -494.795
Base-Backbone interact. energy: -1.151
local terms energy: -575.000524
where:
bonds (distance) C4'-P energy: -136.845
bonds (distance) P-C4' energy: -109.536
flat angles C4'-P-C4' energy: -126.929
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -138.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1368.090080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.090080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.090080 (E_RNA)
where:
Base-Base interactions energy: -880.025
where: short stacking energy: -390.985
Base-Backbone interact. energy: -3.281
local terms energy: -484.784747
where:
bonds (distance) C4'-P energy: -109.784
bonds (distance) P-C4' energy: -118.588
flat angles C4'-P-C4' energy: -130.244
flat angles P-C4'-P energy: -64.100
tors. eta vs tors. theta energy: -62.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1051.490508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.490508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.490508 (E_RNA)
where:
Base-Base interactions energy: -594.850
where: short stacking energy: -289.585
Base-Backbone interact. energy: 2.799
local terms energy: -459.440056
where:
bonds (distance) C4'-P energy: -130.917
bonds (distance) P-C4' energy: -154.820
flat angles C4'-P-C4' energy: -102.850
flat angles P-C4'-P energy: -47.713
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -716.870024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.870024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.870024 (E_RNA)
where:
Base-Base interactions energy: -291.071
where: short stacking energy: -197.421
Base-Backbone interact. energy: 1.795
local terms energy: -427.593813
where:
bonds (distance) C4'-P energy: -117.713
bonds (distance) P-C4' energy: -140.490
flat angles C4'-P-C4' energy: -102.676
flat angles P-C4'-P energy: -72.541
tors. eta vs tors. theta energy: 5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -2710.476110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.476110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.476110 (E_RNA)
where:
Base-Base interactions energy: -1899.230
where: short stacking energy: -790.535
Base-Backbone interact. energy: -6.785
local terms energy: -804.461390
where:
bonds (distance) C4'-P energy: -132.855
bonds (distance) P-C4' energy: -148.551
flat angles C4'-P-C4' energy: -175.478
flat angles P-C4'-P energy: -112.417
tors. eta vs tors. theta energy: -235.161
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: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2529.983136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.983136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.983136 (E_RNA)
where:
Base-Base interactions energy: -1769.739
where: short stacking energy: -716.119
Base-Backbone interact. energy: 0.201
local terms energy: -760.444377
where:
bonds (distance) C4'-P energy: -135.336
bonds (distance) P-C4' energy: -147.019
flat angles C4'-P-C4' energy: -157.000
flat angles P-C4'-P energy: -109.531
tors. eta vs tors. theta energy: -211.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -2362.394185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2362.394185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2362.394185 (E_RNA)
where:
Base-Base interactions energy: -1613.787
where: short stacking energy: -688.409
Base-Backbone interact. energy: -1.325
local terms energy: -747.281936
where:
bonds (distance) C4'-P energy: -136.501
bonds (distance) P-C4' energy: -137.095
flat angles C4'-P-C4' energy: -159.036
flat angles P-C4'-P energy: -107.600
tors. eta vs tors. theta energy: -207.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -2326.239849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.239849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.239849 (E_RNA)
where:
Base-Base interactions energy: -1594.718
where: short stacking energy: -661.252
Base-Backbone interact. energy: -3.864
local terms energy: -727.657648
where:
bonds (distance) C4'-P energy: -139.839
bonds (distance) P-C4' energy: -140.948
flat angles C4'-P-C4' energy: -147.089
flat angles P-C4'-P energy: -100.747
tors. eta vs tors. theta energy: -199.033
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: 9
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -2125.861473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.861473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.861473 (E_RNA)
where:
Base-Base interactions energy: -1454.137
where: short stacking energy: -608.935
Base-Backbone interact. energy: -0.376
local terms energy: -671.347981
where:
bonds (distance) C4'-P energy: -120.158
bonds (distance) P-C4' energy: -147.565
flat angles C4'-P-C4' energy: -143.752
flat angles P-C4'-P energy: -92.906
tors. eta vs tors. theta energy: -166.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1614.175212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.175212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.175212 (E_RNA)
where:
Base-Base interactions energy: -1024.542
where: short stacking energy: -472.386
Base-Backbone interact. energy: 4.318
local terms energy: -593.952030
where:
bonds (distance) C4'-P energy: -127.691
bonds (distance) P-C4' energy: -117.910
flat angles C4'-P-C4' energy: -140.095
flat angles P-C4'-P energy: -88.034
tors. eta vs tors. theta energy: -120.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1681.000383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.000383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.000383 (E_RNA)
where:
Base-Base interactions energy: -1063.702
where: short stacking energy: -498.053
Base-Backbone interact. energy: -0.195
local terms energy: -617.103838
where:
bonds (distance) C4'-P energy: -142.670
bonds (distance) P-C4' energy: -123.518
flat angles C4'-P-C4' energy: -145.211
flat angles P-C4'-P energy: -84.852
tors. eta vs tors. theta energy: -120.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1360.478788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.478788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.478788 (E_RNA)
where:
Base-Base interactions energy: -796.148
where: short stacking energy: -376.238
Base-Backbone interact. energy: -0.246
local terms energy: -564.084471
where:
bonds (distance) C4'-P energy: -129.485
bonds (distance) P-C4' energy: -137.168
flat angles C4'-P-C4' energy: -137.882
flat angles P-C4'-P energy: -83.489
tors. eta vs tors. theta energy: -76.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1130.341801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.341801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.341801 (E_RNA)
where:
Base-Base interactions energy: -650.592
where: short stacking energy: -299.952
Base-Backbone interact. energy: 6.338
local terms energy: -486.088595
where:
bonds (distance) C4'-P energy: -138.020
bonds (distance) P-C4' energy: -123.036
flat angles C4'-P-C4' energy: -106.452
flat angles P-C4'-P energy: -72.073
tors. eta vs tors. theta energy: -46.507
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: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -662.776884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.776884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.776884 (E_RNA)
where:
Base-Base interactions energy: -250.695
where: short stacking energy: -166.609
Base-Backbone interact. energy: -1.049
local terms energy: -411.033132
where:
bonds (distance) C4'-P energy: -105.424
bonds (distance) P-C4' energy: -131.115
flat angles C4'-P-C4' energy: -113.941
flat angles P-C4'-P energy: -78.327
tors. eta vs tors. theta energy: 17.775
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2697.850777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.850777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.850777 (E_RNA)
where:
Base-Base interactions energy: -1878.370
where: short stacking energy: -751.909
Base-Backbone interact. energy: -2.379
local terms energy: -817.102454
where:
bonds (distance) C4'-P energy: -157.968
bonds (distance) P-C4' energy: -152.744
flat angles C4'-P-C4' energy: -169.130
flat angles P-C4'-P energy: -111.827
tors. eta vs tors. theta energy: -225.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2567.993453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.993453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.993453 (E_RNA)
where:
Base-Base interactions energy: -1784.398
where: short stacking energy: -729.494
Base-Backbone interact. energy: -0.750
local terms energy: -782.845712
where:
bonds (distance) C4'-P energy: -150.778
bonds (distance) P-C4' energy: -140.856
flat angles C4'-P-C4' energy: -170.866
flat angles P-C4'-P energy: -99.603
tors. eta vs tors. theta energy: -220.743
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: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -2344.683798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.683798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.683798 (E_RNA)
where:
Base-Base interactions energy: -1571.186
where: short stacking energy: -657.343
Base-Backbone interact. energy: -1.157
local terms energy: -772.341037
where:
bonds (distance) C4'-P energy: -137.475
bonds (distance) P-C4' energy: -159.163
flat angles C4'-P-C4' energy: -163.955
flat angles P-C4'-P energy: -110.708
tors. eta vs tors. theta energy: -201.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -2258.635888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.635888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.635888 (E_RNA)
where:
Base-Base interactions energy: -1570.533
where: short stacking energy: -634.873
Base-Backbone interact. energy: -1.896
local terms energy: -686.206594
where:
bonds (distance) C4'-P energy: -130.084
bonds (distance) P-C4' energy: -120.664
flat angles C4'-P-C4' energy: -146.236
flat angles P-C4'-P energy: -98.726
tors. eta vs tors. theta energy: -190.497
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: 9
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -2155.572982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2155.572982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2155.572982 (E_RNA)
where:
Base-Base interactions energy: -1476.281
where: short stacking energy: -630.690
Base-Backbone interact. energy: -1.723
local terms energy: -677.569143
where:
bonds (distance) C4'-P energy: -137.242
bonds (distance) P-C4' energy: -135.067
flat angles C4'-P-C4' energy: -141.746
flat angles P-C4'-P energy: -84.144
tors. eta vs tors. theta energy: -179.371
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: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1699.108270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.108270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.108270 (E_RNA)
where:
Base-Base interactions energy: -1086.869
where: short stacking energy: -498.905
Base-Backbone interact. energy: -1.601
local terms energy: -610.638406
where:
bonds (distance) C4'-P energy: -133.609
bonds (distance) P-C4' energy: -135.928
flat angles C4'-P-C4' energy: -136.695
flat angles P-C4'-P energy: -89.267
tors. eta vs tors. theta energy: -115.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1555.967909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.967909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.967909 (E_RNA)
where:
Base-Base interactions energy: -982.587
where: short stacking energy: -438.987
Base-Backbone interact. energy: 2.392
local terms energy: -575.772859
where:
bonds (distance) C4'-P energy: -121.573
bonds (distance) P-C4' energy: -140.206
flat angles C4'-P-C4' energy: -146.324
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -88.826
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: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1338.823205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.823205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.823205 (E_RNA)
where:
Base-Base interactions energy: -819.564
where: short stacking energy: -399.887
Base-Backbone interact. energy: -2.450
local terms energy: -516.809112
where:
bonds (distance) C4'-P energy: -116.745
bonds (distance) P-C4' energy: -108.157
flat angles C4'-P-C4' energy: -151.708
flat angles P-C4'-P energy: -64.214
tors. eta vs tors. theta energy: -75.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1094.346923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.346923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.346923 (E_RNA)
where:
Base-Base interactions energy: -627.988
where: short stacking energy: -280.672
Base-Backbone interact. energy: 4.063
local terms energy: -470.421725
where:
bonds (distance) C4'-P energy: -116.661
bonds (distance) P-C4' energy: -138.074
flat angles C4'-P-C4' energy: -116.618
flat angles P-C4'-P energy: -58.010
tors. eta vs tors. theta energy: -41.059
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: 10, replica: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -656.229781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.229781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.229781 (E_RNA)
where:
Base-Base interactions energy: -266.396
where: short stacking energy: -175.751
Base-Backbone interact. energy: 6.743
local terms energy: -396.577740
where:
bonds (distance) C4'-P energy: -131.798
bonds (distance) P-C4' energy: -118.397
flat angles C4'-P-C4' energy: -105.503
flat angles P-C4'-P energy: -54.074
tors. eta vs tors. theta energy: 13.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2679.539472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.539472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.539472 (E_RNA)
where:
Base-Base interactions energy: -1837.955
where: short stacking energy: -751.033
Base-Backbone interact. energy: -6.323
local terms energy: -835.261420
where:
bonds (distance) C4'-P energy: -151.752
bonds (distance) P-C4' energy: -154.415
flat angles C4'-P-C4' energy: -180.931
flat angles P-C4'-P energy: -116.537
tors. eta vs tors. theta energy: -231.627
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2532.273568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2532.273568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2532.273568 (E_RNA)
where:
Base-Base interactions energy: -1761.833
where: short stacking energy: -720.077
Base-Backbone interact. energy: 3.933
local terms energy: -774.373497
where:
bonds (distance) C4'-P energy: -139.789
bonds (distance) P-C4' energy: -158.213
flat angles C4'-P-C4' energy: -161.452
flat angles P-C4'-P energy: -103.244
tors. eta vs tors. theta energy: -211.674
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: 290
Temperature: 1.000000
Total energy: -2356.361906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.361906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.361906 (E_RNA)
where:
Base-Base interactions energy: -1609.607
where: short stacking energy: -661.695
Base-Backbone interact. energy: -0.755
local terms energy: -746.000445
where:
bonds (distance) C4'-P energy: -143.963
bonds (distance) P-C4' energy: -145.536
flat angles C4'-P-C4' energy: -161.836
flat angles P-C4'-P energy: -103.406
tors. eta vs tors. theta energy: -191.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -2312.905633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.905633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.905633 (E_RNA)
where:
Base-Base interactions energy: -1562.283
where: short stacking energy: -685.245
Base-Backbone interact. energy: 0.242
local terms energy: -750.864865
where:
bonds (distance) C4'-P energy: -133.909
bonds (distance) P-C4' energy: -136.004
flat angles C4'-P-C4' energy: -162.410
flat angles P-C4'-P energy: -113.135
tors. eta vs tors. theta energy: -205.407
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: 9
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -2170.965926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.965926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.965926 (E_RNA)
where:
Base-Base interactions energy: -1451.892
where: short stacking energy: -597.113
Base-Backbone interact. energy: -3.105
local terms energy: -715.969235
where:
bonds (distance) C4'-P energy: -145.111
bonds (distance) P-C4' energy: -126.682
flat angles C4'-P-C4' energy: -155.949
flat angles P-C4'-P energy: -106.869
tors. eta vs tors. theta energy: -181.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1718.060995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.060995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.060995 (E_RNA)
where:
Base-Base interactions energy: -1114.817
where: short stacking energy: -528.632
Base-Backbone interact. energy: -2.073
local terms energy: -601.170559
where:
bonds (distance) C4'-P energy: -120.117
bonds (distance) P-C4' energy: -117.917
flat angles C4'-P-C4' energy: -155.811
flat angles P-C4'-P energy: -80.873
tors. eta vs tors. theta energy: -126.452
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: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1574.546546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.546546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.546546 (E_RNA)
where:
Base-Base interactions energy: -985.730
where: short stacking energy: -445.973
Base-Backbone interact. energy: -1.557
local terms energy: -587.258955
where:
bonds (distance) C4'-P energy: -130.333
bonds (distance) P-C4' energy: -123.229
flat angles C4'-P-C4' energy: -144.989
flat angles P-C4'-P energy: -79.543
tors. eta vs tors. theta energy: -109.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1412.326337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.326337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.326337 (E_RNA)
where:
Base-Base interactions energy: -860.907
where: short stacking energy: -399.342
Base-Backbone interact. energy: 0.716
local terms energy: -552.135776
where:
bonds (distance) C4'-P energy: -134.816
bonds (distance) P-C4' energy: -135.755
flat angles C4'-P-C4' energy: -134.647
flat angles P-C4'-P energy: -63.326
tors. eta vs tors. theta energy: -83.592
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: 7
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1055.823603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.823603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.823603 (E_RNA)
where:
Base-Base interactions energy: -600.189
where: short stacking energy: -267.312
Base-Backbone interact. energy: 3.374
local terms energy: -459.008916
where:
bonds (distance) C4'-P energy: -117.388
bonds (distance) P-C4' energy: -133.189
flat angles C4'-P-C4' energy: -114.320
flat angles P-C4'-P energy: -62.402
tors. eta vs tors. theta energy: -31.710
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: 10, replica: 1
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -660.828601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.828601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.828601 (E_RNA)
where:
Base-Base interactions energy: -301.700
where: short stacking energy: -180.273
Base-Backbone interact. energy: 4.146
local terms energy: -363.274034
where:
bonds (distance) C4'-P energy: -108.976
bonds (distance) P-C4' energy: -141.499
flat angles C4'-P-C4' energy: -90.722
flat angles P-C4'-P energy: -53.707
tors. eta vs tors. theta energy: 31.631
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: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2718.741491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2718.741491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2718.741491 (E_RNA)
where:
Base-Base interactions energy: -1908.974
where: short stacking energy: -743.477
Base-Backbone interact. energy: -9.172
local terms energy: -800.594993
where:
bonds (distance) C4'-P energy: -141.079
bonds (distance) P-C4' energy: -152.802
flat angles C4'-P-C4' energy: -173.245
flat angles P-C4'-P energy: -111.127
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: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -2559.993775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.993775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.993775 (E_RNA)
where:
Base-Base interactions energy: -1768.649
where: short stacking energy: -718.749
Base-Backbone interact. energy: -2.477
local terms energy: -788.867902
where:
bonds (distance) C4'-P energy: -150.221
bonds (distance) P-C4' energy: -149.083
flat angles C4'-P-C4' energy: -169.375
flat angles P-C4'-P energy: -111.458
tors. eta vs tors. theta energy: -208.730
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: 3
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -2363.800880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.800880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.800880 (E_RNA)
where:
Base-Base interactions energy: -1630.735
where: short stacking energy: -696.858
Base-Backbone interact. energy: 3.548
local terms energy: -736.614145
where:
bonds (distance) C4'-P energy: -125.226
bonds (distance) P-C4' energy: -152.873
flat angles C4'-P-C4' energy: -164.260
flat angles P-C4'-P energy: -94.422
tors. eta vs tors. theta energy: -199.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -2312.370179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.370179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.370179 (E_RNA)
where:
Base-Base interactions energy: -1588.892
where: short stacking energy: -692.944
Base-Backbone interact. energy: -2.008
local terms energy: -721.469586
where:
bonds (distance) C4'-P energy: -124.329
bonds (distance) P-C4' energy: -135.377
flat angles C4'-P-C4' energy: -163.583
flat angles P-C4'-P energy: -96.989
tors. eta vs tors. theta energy: -201.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -2131.414176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.414176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.414176 (E_RNA)
where:
Base-Base interactions energy: -1449.871
where: short stacking energy: -604.957
Base-Backbone interact. energy: 0.501
local terms energy: -682.044400
where:
bonds (distance) C4'-P energy: -133.058
bonds (distance) P-C4' energy: -136.175
flat angles C4'-P-C4' energy: -153.439
flat angles P-C4'-P energy: -97.813
tors. eta vs tors. theta energy: -161.560
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: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1806.804504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.804504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.804504 (E_RNA)
where:
Base-Base interactions energy: -1168.224
where: short stacking energy: -523.999
Base-Backbone interact. energy: -2.670
local terms energy: -635.910516
where:
bonds (distance) C4'-P energy: -127.656
bonds (distance) P-C4' energy: -130.097
flat angles C4'-P-C4' energy: -146.046
flat angles P-C4'-P energy: -95.231
tors. eta vs tors. theta energy: -136.881
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: 4
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1573.202393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.202393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.202393 (E_RNA)
where:
Base-Base interactions energy: -1004.449
where: short stacking energy: -457.226
Base-Backbone interact. energy: -2.654
local terms energy: -566.098843
where:
bonds (distance) C4'-P energy: -107.185
bonds (distance) P-C4' energy: -131.961
flat angles C4'-P-C4' energy: -134.258
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -121.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1383.857461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.857461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.857461 (E_RNA)
where:
Base-Base interactions energy: -868.692
where: short stacking energy: -391.275
Base-Backbone interact. energy: 0.382
local terms energy: -515.547894
where:
bonds (distance) C4'-P energy: -118.574
bonds (distance) P-C4' energy: -124.244
flat angles C4'-P-C4' energy: -124.595
flat angles P-C4'-P energy: -63.798
tors. eta vs tors. theta energy: -84.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1133.418349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.418349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.418349 (E_RNA)
where:
Base-Base interactions energy: -681.017
where: short stacking energy: -334.358
Base-Backbone interact. energy: -4.327
local terms energy: -448.073945
where:
bonds (distance) C4'-P energy: -106.063
bonds (distance) P-C4' energy: -131.622
flat angles C4'-P-C4' energy: -112.355
flat angles P-C4'-P energy: -55.210
tors. eta vs tors. theta energy: -42.823
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: 10, replica: 1
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -621.614114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.614114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.614114 (E_RNA)
where:
Base-Base interactions energy: -224.489
where: short stacking energy: -153.586
Base-Backbone interact. energy: -2.977
local terms energy: -394.148247
where:
bonds (distance) C4'-P energy: -120.219
bonds (distance) P-C4' energy: -132.945
flat angles C4'-P-C4' energy: -88.635
flat angles P-C4'-P energy: -75.203
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: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2719.248937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.248937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.248937 (E_RNA)
where:
Base-Base interactions energy: -1905.076
where: short stacking energy: -780.240
Base-Backbone interact. energy: -3.661
local terms energy: -810.512582
where:
bonds (distance) C4'-P energy: -131.713
bonds (distance) P-C4' energy: -154.582
flat angles C4'-P-C4' energy: -167.296
flat angles P-C4'-P energy: -119.028
tors. eta vs tors. theta energy: -237.893
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: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -2556.981070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.981070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.981070 (E_RNA)
where:
Base-Base interactions energy: -1779.938
where: short stacking energy: -722.598
Base-Backbone interact. energy: -2.910
local terms energy: -774.133297
where:
bonds (distance) C4'-P energy: -130.670
bonds (distance) P-C4' energy: -148.651
flat angles C4'-P-C4' energy: -174.220
flat angles P-C4'-P energy: -105.113
tors. eta vs tors. theta energy: -215.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -2377.363458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2377.363458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2377.363458 (E_RNA)
where:
Base-Base interactions energy: -1608.080
where: short stacking energy: -682.466
Base-Backbone interact. energy: -3.404
local terms energy: -765.880236
where:
bonds (distance) C4'-P energy: -140.796
bonds (distance) P-C4' energy: -150.081
flat angles C4'-P-C4' energy: -153.536
flat angles P-C4'-P energy: -112.478
tors. eta vs tors. theta energy: -208.990
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: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -2325.085479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.085479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.085479 (E_RNA)
where:
Base-Base interactions energy: -1593.099
where: short stacking energy: -687.915
Base-Backbone interact. energy: -1.290
local terms energy: -730.696167
where:
bonds (distance) C4'-P energy: -130.931
bonds (distance) P-C4' energy: -139.483
flat angles C4'-P-C4' energy: -161.035
flat angles P-C4'-P energy: -100.339
tors. eta vs tors. theta energy: -198.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -2079.110111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.110111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.110111 (E_RNA)
where:
Base-Base interactions energy: -1399.480
where: short stacking energy: -566.371
Base-Backbone interact. energy: 1.060
local terms energy: -680.690626
where:
bonds (distance) C4'-P energy: -131.834
bonds (distance) P-C4' energy: -140.520
flat angles C4'-P-C4' energy: -155.089
flat angles P-C4'-P energy: -97.662
tors. eta vs tors. theta energy: -155.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1804.325248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.325248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.325248 (E_RNA)
where:
Base-Base interactions energy: -1186.630
where: short stacking energy: -520.284
Base-Backbone interact. energy: -1.848
local terms energy: -615.848070
where:
bonds (distance) C4'-P energy: -129.268
bonds (distance) P-C4' energy: -122.907
flat angles C4'-P-C4' energy: -137.755
flat angles P-C4'-P energy: -90.954
tors. eta vs tors. theta energy: -134.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1500.056993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.056993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.056993 (E_RNA)
where:
Base-Base interactions energy: -940.430
where: short stacking energy: -412.042
Base-Backbone interact. energy: -3.892
local terms energy: -555.734550
where:
bonds (distance) C4'-P energy: -130.795
bonds (distance) P-C4' energy: -125.952
flat angles C4'-P-C4' energy: -137.630
flat angles P-C4'-P energy: -79.411
tors. eta vs tors. theta energy: -81.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1393.190168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.190168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.190168 (E_RNA)
where:
Base-Base interactions energy: -858.863
where: short stacking energy: -390.018
Base-Backbone interact. energy: 0.143
local terms energy: -534.470057
where:
bonds (distance) C4'-P energy: -116.969
bonds (distance) P-C4' energy: -118.504
flat angles C4'-P-C4' energy: -137.996
flat angles P-C4'-P energy: -87.915
tors. eta vs tors. theta energy: -73.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1053.831741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.831741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.831741 (E_RNA)
where:
Base-Base interactions energy: -577.205
where: short stacking energy: -302.196
Base-Backbone interact. energy: -0.914
local terms energy: -475.712654
where:
bonds (distance) C4'-P energy: -113.939
bonds (distance) P-C4' energy: -142.041
flat angles C4'-P-C4' energy: -107.114
flat angles P-C4'-P energy: -82.067
tors. eta vs tors. theta energy: -30.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -631.796933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.796933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.796933 (E_RNA)
where:
Base-Base interactions energy: -218.343
where: short stacking energy: -168.652
Base-Backbone interact. energy: -1.249
local terms energy: -412.204590
where:
bonds (distance) C4'-P energy: -130.087
bonds (distance) P-C4' energy: -117.211
flat angles C4'-P-C4' energy: -108.294
flat angles P-C4'-P energy: -64.971
tors. eta vs tors. theta energy: 8.359
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: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2722.967734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.967734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.967734 (E_RNA)
where:
Base-Base interactions energy: -1874.180
where: short stacking energy: -784.821
Base-Backbone interact. energy: 1.329
local terms energy: -850.116751
where:
bonds (distance) C4'-P energy: -148.491
bonds (distance) P-C4' energy: -161.740
flat angles C4'-P-C4' energy: -183.261
flat angles P-C4'-P energy: -116.368
tors. eta vs tors. theta energy: -240.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -2549.709155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.709155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.709155 (E_RNA)
where:
Base-Base interactions energy: -1792.123
where: short stacking energy: -710.555
Base-Backbone interact. energy: 2.446
local terms energy: -760.032557
where:
bonds (distance) C4'-P energy: -144.741
bonds (distance) P-C4' energy: -152.532
flat angles C4'-P-C4' energy: -144.245
flat angles P-C4'-P energy: -93.930
tors. eta vs tors. theta energy: -224.584
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: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -2405.415220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.415220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.415220 (E_RNA)
where:
Base-Base interactions energy: -1638.089
where: short stacking energy: -687.883
Base-Backbone interact. energy: -2.188
local terms energy: -765.138981
where:
bonds (distance) C4'-P energy: -149.146
bonds (distance) P-C4' energy: -150.010
flat angles C4'-P-C4' energy: -146.034
flat angles P-C4'-P energy: -105.690
tors. eta vs tors. theta energy: -214.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -2294.838267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.838267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.838267 (E_RNA)
where:
Base-Base interactions energy: -1563.860
where: short stacking energy: -674.964
Base-Backbone interact. energy: 2.994
local terms energy: -733.972959
where:
bonds (distance) C4'-P energy: -143.350
bonds (distance) P-C4' energy: -135.993
flat angles C4'-P-C4' energy: -148.731
flat angles P-C4'-P energy: -105.106
tors. eta vs tors. theta energy: -200.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -2196.583569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.583569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.583569 (E_RNA)
where:
Base-Base interactions energy: -1482.149
where: short stacking energy: -612.130
Base-Backbone interact. energy: -3.851
local terms energy: -710.583585
where:
bonds (distance) C4'-P energy: -138.037
bonds (distance) P-C4' energy: -136.963
flat angles C4'-P-C4' energy: -143.802
flat angles P-C4'-P energy: -112.440
tors. eta vs tors. theta energy: -179.341
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: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1795.801582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.801582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.801582 (E_RNA)
where:
Base-Base interactions energy: -1161.444
where: short stacking energy: -538.537
Base-Backbone interact. energy: -1.101
local terms energy: -633.256884
where:
bonds (distance) C4'-P energy: -126.061
bonds (distance) P-C4' energy: -118.641
flat angles C4'-P-C4' energy: -150.879
flat angles P-C4'-P energy: -91.702
tors. eta vs tors. theta energy: -145.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1547.338484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.338484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.338484 (E_RNA)
where:
Base-Base interactions energy: -938.584
where: short stacking energy: -425.842
Base-Backbone interact. energy: -0.943
local terms energy: -607.811096
where:
bonds (distance) C4'-P energy: -130.595
bonds (distance) P-C4' energy: -139.333
flat angles C4'-P-C4' energy: -148.748
flat angles P-C4'-P energy: -87.351
tors. eta vs tors. theta energy: -101.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1355.119630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.119630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.119630 (E_RNA)
where:
Base-Base interactions energy: -835.367
where: short stacking energy: -409.144
Base-Backbone interact. energy: 0.439
local terms energy: -520.191820
where:
bonds (distance) C4'-P energy: -119.687
bonds (distance) P-C4' energy: -115.790
flat angles C4'-P-C4' energy: -121.949
flat angles P-C4'-P energy: -72.607
tors. eta vs tors. theta energy: -90.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1073.302259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.302259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.302259 (E_RNA)
where:
Base-Base interactions energy: -591.576
where: short stacking energy: -298.351
Base-Backbone interact. energy: -1.393
local terms energy: -480.332875
where:
bonds (distance) C4'-P energy: -132.274
bonds (distance) P-C4' energy: -132.555
flat angles C4'-P-C4' energy: -115.437
flat angles P-C4'-P energy: -74.791
tors. eta vs tors. theta energy: -25.275
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: 1
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -627.957201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.957201 (E_RNA)
where:
Base-Base interactions energy: -249.771
where: short stacking energy: -186.888
Base-Backbone interact. energy: 1.632
local terms energy: -379.818000
where:
bonds (distance) C4'-P energy: -106.013
bonds (distance) P-C4' energy: -127.116
flat angles C4'-P-C4' energy: -103.295
flat angles P-C4'-P energy: -55.832
tors. eta vs tors. theta energy: 12.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2673.264288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.264288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.264288 (E_RNA)
where:
Base-Base interactions energy: -1860.683
where: short stacking energy: -755.928
Base-Backbone interact. energy: -6.012
local terms energy: -806.569709
where:
bonds (distance) C4'-P energy: -149.469
bonds (distance) P-C4' energy: -143.196
flat angles C4'-P-C4' energy: -167.915
flat angles P-C4'-P energy: -109.461
tors. eta vs tors. theta energy: -236.529
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: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -2570.768076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.768076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.768076 (E_RNA)
where:
Base-Base interactions energy: -1778.312
where: short stacking energy: -717.680
Base-Backbone interact. energy: 0.769
local terms energy: -793.225726
where:
bonds (distance) C4'-P energy: -141.011
bonds (distance) P-C4' energy: -148.306
flat angles C4'-P-C4' energy: -164.598
flat angles P-C4'-P energy: -111.322
tors. eta vs tors. theta energy: -227.988
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: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -2423.609389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.609389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.609389 (E_RNA)
where:
Base-Base interactions energy: -1673.715
where: short stacking energy: -702.229
Base-Backbone interact. energy: 5.572
local terms energy: -755.466488
where:
bonds (distance) C4'-P energy: -143.554
bonds (distance) P-C4' energy: -154.870
flat angles C4'-P-C4' energy: -168.195
flat angles P-C4'-P energy: -84.226
tors. eta vs tors. theta energy: -204.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -2279.500895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.500895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.500895 (E_RNA)
where:
Base-Base interactions energy: -1551.545
where: short stacking energy: -670.989
Base-Backbone interact. energy: -4.365
local terms energy: -723.590324
where:
bonds (distance) C4'-P energy: -138.405
bonds (distance) P-C4' energy: -138.414
flat angles C4'-P-C4' energy: -152.365
flat angles P-C4'-P energy: -94.123
tors. eta vs tors. theta energy: -200.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -2153.429029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2153.429029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2153.429029 (E_RNA)
where:
Base-Base interactions energy: -1464.073
where: short stacking energy: -628.009
Base-Backbone interact. energy: 1.619
local terms energy: -690.974213
where:
bonds (distance) C4'-P energy: -117.259
bonds (distance) P-C4' energy: -135.192
flat angles C4'-P-C4' energy: -153.596
flat angles P-C4'-P energy: -102.104
tors. eta vs tors. theta energy: -182.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1820.829496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.829496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.829496 (E_RNA)
where:
Base-Base interactions energy: -1191.231
where: short stacking energy: -538.980
Base-Backbone interact. energy: -2.361
local terms energy: -627.237577
where:
bonds (distance) C4'-P energy: -124.716
bonds (distance) P-C4' energy: -136.408
flat angles C4'-P-C4' energy: -146.719
flat angles P-C4'-P energy: -78.725
tors. eta vs tors. theta energy: -140.669
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: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1562.871727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.871727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.871727 (E_RNA)
where:
Base-Base interactions energy: -965.984
where: short stacking energy: -460.402
Base-Backbone interact. energy: -0.879
local terms energy: -596.009080
where:
bonds (distance) C4'-P energy: -119.421
bonds (distance) P-C4' energy: -135.920
flat angles C4'-P-C4' energy: -151.095
flat angles P-C4'-P energy: -74.957
tors. eta vs tors. theta energy: -114.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1287.583223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.583223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.583223 (E_RNA)
where:
Base-Base interactions energy: -799.923
where: short stacking energy: -404.729
Base-Backbone interact. energy: 5.789
local terms energy: -493.449095
where:
bonds (distance) C4'-P energy: -90.535
bonds (distance) P-C4' energy: -129.515
flat angles C4'-P-C4' energy: -123.350
flat angles P-C4'-P energy: -62.039
tors. eta vs tors. theta energy: -88.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1033.301813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.301813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.301813 (E_RNA)
where:
Base-Base interactions energy: -561.525
where: short stacking energy: -275.330
Base-Backbone interact. energy: -3.423
local terms energy: -468.354657
where:
bonds (distance) C4'-P energy: -104.758
bonds (distance) P-C4' energy: -142.532
flat angles C4'-P-C4' energy: -119.695
flat angles P-C4'-P energy: -78.665
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -632.433917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.433917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.433917 (E_RNA)
where:
Base-Base interactions energy: -273.195
where: short stacking energy: -159.560
Base-Backbone interact. energy: -3.621
local terms energy: -355.618188
where:
bonds (distance) C4'-P energy: -109.201
bonds (distance) P-C4' energy: -114.166
flat angles C4'-P-C4' energy: -93.086
flat angles P-C4'-P energy: -58.802
tors. eta vs tors. theta energy: 19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2683.551992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.551992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.551992 (E_RNA)
where:
Base-Base interactions energy: -1855.396
where: short stacking energy: -765.509
Base-Backbone interact. energy: -3.688
local terms energy: -824.468027
where:
bonds (distance) C4'-P energy: -139.082
bonds (distance) P-C4' energy: -153.098
flat angles C4'-P-C4' energy: -175.587
flat angles P-C4'-P energy: -116.280
tors. eta vs tors. theta energy: -240.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -2546.664776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.664776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.664776 (E_RNA)
where:
Base-Base interactions energy: -1764.609
where: short stacking energy: -713.680
Base-Backbone interact. energy: -3.489
local terms energy: -778.566436
where:
bonds (distance) C4'-P energy: -150.051
bonds (distance) P-C4' energy: -148.701
flat angles C4'-P-C4' energy: -170.188
flat angles P-C4'-P energy: -93.915
tors. eta vs tors. theta energy: -215.712
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: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -2436.080694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.080694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.080694 (E_RNA)
where:
Base-Base interactions energy: -1644.123
where: short stacking energy: -687.688
Base-Backbone interact. energy: -3.537
local terms energy: -788.420495
where:
bonds (distance) C4'-P energy: -140.364
bonds (distance) P-C4' energy: -150.102
flat angles C4'-P-C4' energy: -168.780
flat angles P-C4'-P energy: -117.958
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: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -2347.762013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.762013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.762013 (E_RNA)
where:
Base-Base interactions energy: -1594.392
where: short stacking energy: -689.713
Base-Backbone interact. energy: 0.308
local terms energy: -753.678187
where:
bonds (distance) C4'-P energy: -139.871
bonds (distance) P-C4' energy: -143.865
flat angles C4'-P-C4' energy: -152.263
flat angles P-C4'-P energy: -99.097
tors. eta vs tors. theta energy: -218.581
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: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -2138.262064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.262064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.262064 (E_RNA)
where:
Base-Base interactions energy: -1455.054
where: short stacking energy: -605.651
Base-Backbone interact. energy: 4.218
local terms energy: -687.426238
where:
bonds (distance) C4'-P energy: -130.863
bonds (distance) P-C4' energy: -138.809
flat angles C4'-P-C4' energy: -146.206
flat angles P-C4'-P energy: -103.448
tors. eta vs tors. theta energy: -168.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1838.054885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.054885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.054885 (E_RNA)
where:
Base-Base interactions energy: -1190.358
where: short stacking energy: -516.036
Base-Backbone interact. energy: -2.444
local terms energy: -645.253701
where:
bonds (distance) C4'-P energy: -126.365
bonds (distance) P-C4' energy: -148.940
flat angles C4'-P-C4' energy: -145.735
flat angles P-C4'-P energy: -87.218
tors. eta vs tors. theta energy: -136.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1551.316616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.316616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.316616 (E_RNA)
where:
Base-Base interactions energy: -958.376
where: short stacking energy: -416.801
Base-Backbone interact. energy: 0.075
local terms energy: -593.015680
where:
bonds (distance) C4'-P energy: -128.237
bonds (distance) P-C4' energy: -145.428
flat angles C4'-P-C4' energy: -140.712
flat angles P-C4'-P energy: -92.332
tors. eta vs tors. theta energy: -86.306
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: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1323.928524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.928524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.928524 (E_RNA)
where:
Base-Base interactions energy: -772.823
where: short stacking energy: -352.164
Base-Backbone interact. energy: 0.636
local terms energy: -551.741194
where:
bonds (distance) C4'-P energy: -127.475
bonds (distance) P-C4' energy: -130.135
flat angles C4'-P-C4' energy: -124.492
flat angles P-C4'-P energy: -97.695
tors. eta vs tors. theta energy: -71.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1036.807861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.807861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.807861 (E_RNA)
where:
Base-Base interactions energy: -582.298
where: short stacking energy: -293.278
Base-Backbone interact. energy: 1.065
local terms energy: -455.575384
where:
bonds (distance) C4'-P energy: -108.755
bonds (distance) P-C4' energy: -134.751
flat angles C4'-P-C4' energy: -112.046
flat angles P-C4'-P energy: -65.670
tors. eta vs tors. theta energy: -34.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -661.959998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.959998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.959998 (E_RNA)
where:
Base-Base interactions energy: -299.745
where: short stacking energy: -188.766
Base-Backbone interact. energy: 0.414
local terms energy: -362.628479
where:
bonds (distance) C4'-P energy: -114.123
bonds (distance) P-C4' energy: -128.520
flat angles C4'-P-C4' energy: -101.029
flat angles P-C4'-P energy: -46.411
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: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2703.309089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.309089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.309089 (E_RNA)
where:
Base-Base interactions energy: -1858.030
where: short stacking energy: -773.105
Base-Backbone interact. energy: -4.510
local terms energy: -840.769492
where:
bonds (distance) C4'-P energy: -139.919
bonds (distance) P-C4' energy: -158.913
flat angles C4'-P-C4' energy: -173.463
flat angles P-C4'-P energy: -132.306
tors. eta vs tors. theta energy: -236.169
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -2524.864973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2524.864973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2524.864973 (E_RNA)
where:
Base-Base interactions energy: -1749.179
where: short stacking energy: -708.360
Base-Backbone interact. energy: -0.047
local terms energy: -775.638523
where:
bonds (distance) C4'-P energy: -150.481
bonds (distance) P-C4' energy: -138.290
flat angles C4'-P-C4' energy: -161.139
flat angles P-C4'-P energy: -111.656
tors. eta vs tors. theta energy: -214.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -2425.067874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2425.067874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2425.067874 (E_RNA)
where:
Base-Base interactions energy: -1640.828
where: short stacking energy: -700.631
Base-Backbone interact. energy: -3.693
local terms energy: -780.547158
where:
bonds (distance) C4'-P energy: -149.152
bonds (distance) P-C4' energy: -140.405
flat angles C4'-P-C4' energy: -161.968
flat angles P-C4'-P energy: -113.568
tors. eta vs tors. theta energy: -215.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -2341.188450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.188450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.188450 (E_RNA)
where:
Base-Base interactions energy: -1605.012
where: short stacking energy: -673.732
Base-Backbone interact. energy: -1.745
local terms energy: -734.430734
where:
bonds (distance) C4'-P energy: -135.375
bonds (distance) P-C4' energy: -143.064
flat angles C4'-P-C4' energy: -157.946
flat angles P-C4'-P energy: -98.977
tors. eta vs tors. theta energy: -199.069
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: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -2064.765715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.765715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.765715 (E_RNA)
where:
Base-Base interactions energy: -1428.026
where: short stacking energy: -584.533
Base-Backbone interact. energy: 4.139
local terms energy: -640.878116
where:
bonds (distance) C4'-P energy: -117.054
bonds (distance) P-C4' energy: -139.355
flat angles C4'-P-C4' energy: -141.275
flat angles P-C4'-P energy: -83.165
tors. eta vs tors. theta energy: -160.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1816.126957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.126957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.126957 (E_RNA)
where:
Base-Base interactions energy: -1150.592
where: short stacking energy: -524.133
Base-Backbone interact. energy: -3.392
local terms energy: -662.143563
where:
bonds (distance) C4'-P energy: -132.909
bonds (distance) P-C4' energy: -140.852
flat angles C4'-P-C4' energy: -158.629
flat angles P-C4'-P energy: -92.440
tors. eta vs tors. theta energy: -137.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1597.156413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.156413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.156413 (E_RNA)
where:
Base-Base interactions energy: -1030.094
where: short stacking energy: -427.719
Base-Backbone interact. energy: -1.495
local terms energy: -565.566960
where:
bonds (distance) C4'-P energy: -114.560
bonds (distance) P-C4' energy: -130.664
flat angles C4'-P-C4' energy: -127.743
flat angles P-C4'-P energy: -81.066
tors. eta vs tors. theta energy: -111.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1341.984419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.984419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.984419 (E_RNA)
where:
Base-Base interactions energy: -828.734
where: short stacking energy: -386.487
Base-Backbone interact. energy: -1.879
local terms energy: -511.371768
where:
bonds (distance) C4'-P energy: -105.132
bonds (distance) P-C4' energy: -126.357
flat angles C4'-P-C4' energy: -123.189
flat angles P-C4'-P energy: -76.480
tors. eta vs tors. theta energy: -80.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1052.224762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.224762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.224762 (E_RNA)
where:
Base-Base interactions energy: -585.806
where: short stacking energy: -279.209
Base-Backbone interact. energy: -0.543
local terms energy: -465.875840
where:
bonds (distance) C4'-P energy: -120.762
bonds (distance) P-C4' energy: -125.095
flat angles C4'-P-C4' energy: -117.993
flat angles P-C4'-P energy: -74.683
tors. eta vs tors. theta energy: -27.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -627.119252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.119252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.119252 (E_RNA)
where:
Base-Base interactions energy: -265.920
where: short stacking energy: -176.607
Base-Backbone interact. energy: -1.771
local terms energy: -359.427973
where:
bonds (distance) C4'-P energy: -104.948
bonds (distance) P-C4' energy: -115.743
flat angles C4'-P-C4' energy: -103.229
flat angles P-C4'-P energy: -59.275
tors. eta vs tors. theta energy: 23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2699.180325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.180325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.180325 (E_RNA)
where:
Base-Base interactions energy: -1893.355
where: short stacking energy: -774.389
Base-Backbone interact. energy: -1.675
local terms energy: -804.150514
where:
bonds (distance) C4'-P energy: -135.851
bonds (distance) P-C4' energy: -150.504
flat angles C4'-P-C4' energy: -168.069
flat angles P-C4'-P energy: -111.170
tors. eta vs tors. theta energy: -238.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -2559.454895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.454895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.454895 (E_RNA)
where:
Base-Base interactions energy: -1773.259
where: short stacking energy: -732.007
Base-Backbone interact. energy: -3.887
local terms energy: -782.308611
where:
bonds (distance) C4'-P energy: -136.948
bonds (distance) P-C4' energy: -155.259
flat angles C4'-P-C4' energy: -166.844
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -221.515
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: 5
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -2398.540645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.540645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.540645 (E_RNA)
where:
Base-Base interactions energy: -1608.534
where: short stacking energy: -691.727
Base-Backbone interact. energy: -2.818
local terms energy: -787.188559
where:
bonds (distance) C4'-P energy: -141.316
bonds (distance) P-C4' energy: -151.167
flat angles C4'-P-C4' energy: -159.958
flat angles P-C4'-P energy: -123.020
tors. eta vs tors. theta energy: -211.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -2325.556822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.556822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.556822 (E_RNA)
where:
Base-Base interactions energy: -1623.841
where: short stacking energy: -685.024
Base-Backbone interact. energy: -2.274
local terms energy: -699.441510
where:
bonds (distance) C4'-P energy: -122.753
bonds (distance) P-C4' energy: -127.004
flat angles C4'-P-C4' energy: -168.494
flat angles P-C4'-P energy: -90.622
tors. eta vs tors. theta energy: -190.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -2121.426845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.426845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.426845 (E_RNA)
where:
Base-Base interactions energy: -1422.819
where: short stacking energy: -583.224
Base-Backbone interact. energy: -1.902
local terms energy: -696.706152
where:
bonds (distance) C4'-P energy: -139.395
bonds (distance) P-C4' energy: -138.850
flat angles C4'-P-C4' energy: -139.891
flat angles P-C4'-P energy: -95.902
tors. eta vs tors. theta energy: -182.669
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: 6, replica: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1863.509797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.509797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.509797 (E_RNA)
where:
Base-Base interactions energy: -1213.338
where: short stacking energy: -553.272
Base-Backbone interact. energy: -2.768
local terms energy: -647.403752
where:
bonds (distance) C4'-P energy: -133.247
bonds (distance) P-C4' energy: -134.416
flat angles C4'-P-C4' energy: -152.911
flat angles P-C4'-P energy: -94.549
tors. eta vs tors. theta energy: -132.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1617.648705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.648705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.648705 (E_RNA)
where:
Base-Base interactions energy: -1036.149
where: short stacking energy: -466.489
Base-Backbone interact. energy: -1.943
local terms energy: -579.556007
where:
bonds (distance) C4'-P energy: -112.510
bonds (distance) P-C4' energy: -120.436
flat angles C4'-P-C4' energy: -137.261
flat angles P-C4'-P energy: -98.997
tors. eta vs tors. theta energy: -110.353
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1334.079694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.079694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.079694 (E_RNA)
where:
Base-Base interactions energy: -819.993
where: short stacking energy: -381.162
Base-Backbone interact. energy: 1.776
local terms energy: -515.862512
where:
bonds (distance) C4'-P energy: -131.479
bonds (distance) P-C4' energy: -132.921
flat angles C4'-P-C4' energy: -121.011
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -51.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1083.118882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.118882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.118882 (E_RNA)
where:
Base-Base interactions energy: -642.749
where: short stacking energy: -334.855
Base-Backbone interact. energy: -2.279
local terms energy: -438.090500
where:
bonds (distance) C4'-P energy: -109.866
bonds (distance) P-C4' energy: -124.904
flat angles C4'-P-C4' energy: -94.902
flat angles P-C4'-P energy: -77.886
tors. eta vs tors. theta energy: -30.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -627.797540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.797540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.797540 (E_RNA)
where:
Base-Base interactions energy: -226.416
where: short stacking energy: -150.301
Base-Backbone interact. energy: 2.324
local terms energy: -403.705169
where:
bonds (distance) C4'-P energy: -131.074
bonds (distance) P-C4' energy: -132.546
flat angles C4'-P-C4' energy: -107.573
flat angles P-C4'-P energy: -63.733
tors. eta vs tors. theta energy: 31.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2726.063155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2726.063155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2726.063155 (E_RNA)
where:
Base-Base interactions energy: -1897.408
where: short stacking energy: -771.566
Base-Backbone interact. energy: -6.960
local terms energy: -821.695671
where:
bonds (distance) C4'-P energy: -145.683
bonds (distance) P-C4' energy: -152.354
flat angles C4'-P-C4' energy: -178.925
flat angles P-C4'-P energy: -117.176
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: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2549.080706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.080706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.080706 (E_RNA)
where:
Base-Base interactions energy: -1752.321
where: short stacking energy: -722.128
Base-Backbone interact. energy: -2.531
local terms energy: -794.228469
where:
bonds (distance) C4'-P energy: -130.365
bonds (distance) P-C4' energy: -154.211
flat angles C4'-P-C4' energy: -167.887
flat angles P-C4'-P energy: -123.497
tors. eta vs tors. theta energy: -218.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -2411.609042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2411.609042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2411.609042 (E_RNA)
where:
Base-Base interactions energy: -1658.113
where: short stacking energy: -687.850
Base-Backbone interact. energy: -0.186
local terms energy: -753.310690
where:
bonds (distance) C4'-P energy: -131.149
bonds (distance) P-C4' energy: -139.637
flat angles C4'-P-C4' energy: -170.506
flat angles P-C4'-P energy: -106.533
tors. eta vs tors. theta energy: -205.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -2315.576678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.576678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.576678 (E_RNA)
where:
Base-Base interactions energy: -1595.040
where: short stacking energy: -656.439
Base-Backbone interact. energy: -1.644
local terms energy: -718.892626
where:
bonds (distance) C4'-P energy: -130.535
bonds (distance) P-C4' energy: -131.427
flat angles C4'-P-C4' energy: -173.513
flat angles P-C4'-P energy: -95.654
tors. eta vs tors. theta energy: -187.764
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: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -2115.339309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2115.339309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2115.339309 (E_RNA)
where:
Base-Base interactions energy: -1402.140
where: short stacking energy: -587.437
Base-Backbone interact. energy: -4.334
local terms energy: -708.865804
where:
bonds (distance) C4'-P energy: -136.811
bonds (distance) P-C4' energy: -153.974
flat angles C4'-P-C4' energy: -138.617
flat angles P-C4'-P energy: -96.293
tors. eta vs tors. theta energy: -183.171
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: 6, replica: 10
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1864.579923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.579923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.579923 (E_RNA)
where:
Base-Base interactions energy: -1211.571
where: short stacking energy: -545.930
Base-Backbone interact. energy: 4.195
local terms energy: -657.203488
where:
bonds (distance) C4'-P energy: -136.588
bonds (distance) P-C4' energy: -131.404
flat angles C4'-P-C4' energy: -143.336
flat angles P-C4'-P energy: -92.690
tors. eta vs tors. theta energy: -153.185
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: 4
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1548.044492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.044492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.044492 (E_RNA)
where:
Base-Base interactions energy: -984.383
where: short stacking energy: -426.696
Base-Backbone interact. energy: 3.995
local terms energy: -567.656260
where:
bonds (distance) C4'-P energy: -124.883
bonds (distance) P-C4' energy: -126.284
flat angles C4'-P-C4' energy: -138.456
flat angles P-C4'-P energy: -75.783
tors. eta vs tors. theta energy: -102.251
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: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1383.014266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.014266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.014266 (E_RNA)
where:
Base-Base interactions energy: -852.176
where: short stacking energy: -389.226
Base-Backbone interact. energy: -3.651
local terms energy: -527.187134
where:
bonds (distance) C4'-P energy: -119.187
bonds (distance) P-C4' energy: -135.149
flat angles C4'-P-C4' energy: -124.828
flat angles P-C4'-P energy: -89.514
tors. eta vs tors. theta energy: -58.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1021.720309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.720309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.720309 (E_RNA)
where:
Base-Base interactions energy: -562.101
where: short stacking energy: -286.109
Base-Backbone interact. energy: -0.612
local terms energy: -459.006808
where:
bonds (distance) C4'-P energy: -132.045
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -121.249
flat angles P-C4'-P energy: -57.372
tors. eta vs tors. theta energy: -34.163
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: 1
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -642.152850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.152850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.152850 (E_RNA)
where:
Base-Base interactions energy: -268.905
where: short stacking energy: -167.975
Base-Backbone interact. energy: 8.636
local terms energy: -381.884084
where:
bonds (distance) C4'-P energy: -134.226
bonds (distance) P-C4' energy: -107.523
flat angles C4'-P-C4' energy: -124.673
flat angles P-C4'-P energy: -48.685
tors. eta vs tors. theta energy: 33.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2738.103507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2738.103507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2738.103507 (E_RNA)
where:
Base-Base interactions energy: -1934.829
where: short stacking energy: -773.497
Base-Backbone interact. energy: -0.420
local terms energy: -802.855203
where:
bonds (distance) C4'-P energy: -136.847
bonds (distance) P-C4' energy: -157.636
flat angles C4'-P-C4' energy: -181.676
flat angles P-C4'-P energy: -101.384
tors. eta vs tors. theta energy: -225.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2522.482713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.482713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.482713 (E_RNA)
where:
Base-Base interactions energy: -1732.307
where: short stacking energy: -722.690
Base-Backbone interact. energy: 6.581
local terms energy: -796.757236
where:
bonds (distance) C4'-P energy: -141.902
bonds (distance) P-C4' energy: -152.965
flat angles C4'-P-C4' energy: -171.248
flat angles P-C4'-P energy: -119.034
tors. eta vs tors. theta energy: -211.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -2439.615087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2439.615087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2439.615087 (E_RNA)
where:
Base-Base interactions energy: -1670.479
where: short stacking energy: -701.346
Base-Backbone interact. energy: 1.211
local terms energy: -770.346996
where:
bonds (distance) C4'-P energy: -143.376
bonds (distance) P-C4' energy: -151.684
flat angles C4'-P-C4' energy: -168.218
flat angles P-C4'-P energy: -106.038
tors. eta vs tors. theta energy: -201.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -2355.879369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2355.879369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2355.879369 (E_RNA)
where:
Base-Base interactions energy: -1627.630
where: short stacking energy: -685.468
Base-Backbone interact. energy: 0.611
local terms energy: -728.860541
where:
bonds (distance) C4'-P energy: -127.796
bonds (distance) P-C4' energy: -125.359
flat angles C4'-P-C4' energy: -156.261
flat angles P-C4'-P energy: -113.700
tors. eta vs tors. theta energy: -205.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -2138.211272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.211272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.211272 (E_RNA)
where:
Base-Base interactions energy: -1467.068
where: short stacking energy: -577.248
Base-Backbone interact. energy: -5.487
local terms energy: -665.656847
where:
bonds (distance) C4'-P energy: -136.106
bonds (distance) P-C4' energy: -137.676
flat angles C4'-P-C4' energy: -155.296
flat angles P-C4'-P energy: -82.883
tors. eta vs tors. theta energy: -153.697
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: 6, replica: 10
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1810.392418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.392418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.392418 (E_RNA)
where:
Base-Base interactions energy: -1187.650
where: short stacking energy: -532.666
Base-Backbone interact. energy: -2.780
local terms energy: -619.963095
where:
bonds (distance) C4'-P energy: -141.185
bonds (distance) P-C4' energy: -142.310
flat angles C4'-P-C4' energy: -137.161
flat angles P-C4'-P energy: -87.120
tors. eta vs tors. theta energy: -112.187
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: 4
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1556.143349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.143349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.143349 (E_RNA)
where:
Base-Base interactions energy: -999.422
where: short stacking energy: -448.228
Base-Backbone interact. energy: -2.811
local terms energy: -553.910265
where:
bonds (distance) C4'-P energy: -124.397
bonds (distance) P-C4' energy: -128.053
flat angles C4'-P-C4' energy: -138.619
flat angles P-C4'-P energy: -64.695
tors. eta vs tors. theta energy: -98.147
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: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1346.253418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.253418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.253418 (E_RNA)
where:
Base-Base interactions energy: -784.515
where: short stacking energy: -366.983
Base-Backbone interact. energy: 2.702
local terms energy: -564.440943
where:
bonds (distance) C4'-P energy: -124.158
bonds (distance) P-C4' energy: -136.032
flat angles C4'-P-C4' energy: -121.268
flat angles P-C4'-P energy: -99.435
tors. eta vs tors. theta energy: -83.548
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: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1057.450674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.450674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.450674 (E_RNA)
where:
Base-Base interactions energy: -617.917
where: short stacking energy: -299.913
Base-Backbone interact. energy: -4.269
local terms energy: -435.264417
where:
bonds (distance) C4'-P energy: -113.360
bonds (distance) P-C4' energy: -121.394
flat angles C4'-P-C4' energy: -115.408
flat angles P-C4'-P energy: -68.772
tors. eta vs tors. theta energy: -16.330
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: 1
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -627.700205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.700205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.700205 (E_RNA)
where:
Base-Base interactions energy: -257.679
where: short stacking energy: -165.939
Base-Backbone interact. energy: -2.239
local terms energy: -367.782298
where:
bonds (distance) C4'-P energy: -121.685
bonds (distance) P-C4' energy: -114.438
flat angles C4'-P-C4' energy: -105.154
flat angles P-C4'-P energy: -64.089
tors. eta vs tors. theta energy: 37.584
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: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2727.473247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2727.473247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2727.473247 (E_RNA)
where:
Base-Base interactions energy: -1936.697
where: short stacking energy: -766.704
Base-Backbone interact. energy: -3.176
local terms energy: -787.600464
where:
bonds (distance) C4'-P energy: -158.615
bonds (distance) P-C4' energy: -135.676
flat angles C4'-P-C4' energy: -160.718
flat angles P-C4'-P energy: -104.204
tors. eta vs tors. theta energy: -228.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -2529.807648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.807648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.807648 (E_RNA)
where:
Base-Base interactions energy: -1772.976
where: short stacking energy: -692.559
Base-Backbone interact. energy: 3.906
local terms energy: -760.737727
where:
bonds (distance) C4'-P energy: -136.655
bonds (distance) P-C4' energy: -139.235
flat angles C4'-P-C4' energy: -158.588
flat angles P-C4'-P energy: -116.532
tors. eta vs tors. theta energy: -209.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -2444.445849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2444.445849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2444.445849 (E_RNA)
where:
Base-Base interactions energy: -1661.195
where: short stacking energy: -728.219
Base-Backbone interact. energy: -2.736
local terms energy: -780.514967
where:
bonds (distance) C4'-P energy: -133.857
bonds (distance) P-C4' energy: -150.934
flat angles C4'-P-C4' energy: -170.592
flat angles P-C4'-P energy: -107.540
tors. eta vs tors. theta energy: -217.591
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: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -2344.289339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2344.289339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2344.289339 (E_RNA)
where:
Base-Base interactions energy: -1619.037
where: short stacking energy: -676.281
Base-Backbone interact. energy: 4.831
local terms energy: -730.082841
where:
bonds (distance) C4'-P energy: -128.249
bonds (distance) P-C4' energy: -142.829
flat angles C4'-P-C4' energy: -169.809
flat angles P-C4'-P energy: -79.024
tors. eta vs tors. theta energy: -210.172
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: 300
Temperature: 1.100000
Total energy: -2131.384062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.384062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.384062 (E_RNA)
where:
Base-Base interactions energy: -1465.054
where: short stacking energy: -613.129
Base-Backbone interact. energy: -3.235
local terms energy: -663.094961
where:
bonds (distance) C4'-P energy: -126.559
bonds (distance) P-C4' energy: -112.748
flat angles C4'-P-C4' energy: -156.709
flat angles P-C4'-P energy: -94.661
tors. eta vs tors. theta energy: -172.418
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: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1803.952602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.952602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.952602 (E_RNA)
where:
Base-Base interactions energy: -1142.946
where: short stacking energy: -524.228
Base-Backbone interact. energy: 0.937
local terms energy: -661.943258
where:
bonds (distance) C4'-P energy: -134.002
bonds (distance) P-C4' energy: -136.987
flat angles C4'-P-C4' energy: -155.706
flat angles P-C4'-P energy: -82.884
tors. eta vs tors. theta energy: -152.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1538.293057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.293057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.293057 (E_RNA)
where:
Base-Base interactions energy: -969.853
where: short stacking energy: -428.743
Base-Backbone interact. energy: 1.159
local terms energy: -569.599419
where:
bonds (distance) C4'-P energy: -122.428
bonds (distance) P-C4' energy: -131.012
flat angles C4'-P-C4' energy: -143.556
flat angles P-C4'-P energy: -86.341
tors. eta vs tors. theta energy: -86.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1362.742909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.742909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.742909 (E_RNA)
where:
Base-Base interactions energy: -843.909
where: short stacking energy: -371.096
Base-Backbone interact. energy: -1.875
local terms energy: -516.958869
where:
bonds (distance) C4'-P energy: -121.766
bonds (distance) P-C4' energy: -128.924
flat angles C4'-P-C4' energy: -129.885
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -62.219
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: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1039.271541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.271541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.271541 (E_RNA)
where:
Base-Base interactions energy: -555.738
where: short stacking energy: -251.938
Base-Backbone interact. energy: 2.449
local terms energy: -485.982700
where:
bonds (distance) C4'-P energy: -123.269
bonds (distance) P-C4' energy: -129.415
flat angles C4'-P-C4' energy: -100.163
flat angles P-C4'-P energy: -90.222
tors. eta vs tors. theta energy: -42.914
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: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -617.214035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.214035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.214035 (E_RNA)
where:
Base-Base interactions energy: -201.943
where: short stacking energy: -137.910
Base-Backbone interact. energy: -0.480
local terms energy: -414.790729
where:
bonds (distance) C4'-P energy: -126.284
bonds (distance) P-C4' energy: -145.678
flat angles C4'-P-C4' energy: -116.772
flat angles P-C4'-P energy: -50.057
tors. eta vs tors. theta energy: 24.002
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: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -2741.065024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2741.065024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2741.065024 (E_RNA)
where:
Base-Base interactions energy: -1928.386
where: short stacking energy: -773.414
Base-Backbone interact. energy: -4.379
local terms energy: -808.300090
where:
bonds (distance) C4'-P energy: -150.170
bonds (distance) P-C4' energy: -146.670
flat angles C4'-P-C4' energy: -171.673
flat angles P-C4'-P energy: -119.534
tors. eta vs tors. theta energy: -220.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2513.024393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2513.024393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2513.024393 (E_RNA)
where:
Base-Base interactions energy: -1713.681
where: short stacking energy: -715.084
Base-Backbone interact. energy: -3.709
local terms energy: -795.634844
where:
bonds (distance) C4'-P energy: -154.865
bonds (distance) P-C4' energy: -148.308
flat angles C4'-P-C4' energy: -163.816
flat angles P-C4'-P energy: -107.612
tors. eta vs tors. theta energy: -221.033
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: 301
Temperature: 1.000000
Total energy: -2435.243651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.243651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.243651 (E_RNA)
where:
Base-Base interactions energy: -1638.273
where: short stacking energy: -735.891
Base-Backbone interact. energy: -0.500
local terms energy: -796.470246
where:
bonds (distance) C4'-P energy: -141.418
bonds (distance) P-C4' energy: -149.663
flat angles C4'-P-C4' energy: -167.875
flat angles P-C4'-P energy: -108.689
tors. eta vs tors. theta energy: -228.826
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: 3
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -2310.663720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.663720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.663720 (E_RNA)
where:
Base-Base interactions energy: -1595.326
where: short stacking energy: -664.125
Base-Backbone interact. energy: -0.456
local terms energy: -714.881233
where:
bonds (distance) C4'-P energy: -120.953
bonds (distance) P-C4' energy: -143.420
flat angles C4'-P-C4' energy: -163.882
flat angles P-C4'-P energy: -91.309
tors. eta vs tors. theta energy: -195.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -2110.919169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.919169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.919169 (E_RNA)
where:
Base-Base interactions energy: -1430.140
where: short stacking energy: -573.820
Base-Backbone interact. energy: -3.286
local terms energy: -677.493089
where:
bonds (distance) C4'-P energy: -115.463
bonds (distance) P-C4' energy: -141.282
flat angles C4'-P-C4' energy: -144.397
flat angles P-C4'-P energy: -107.238
tors. eta vs tors. theta energy: -169.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1827.393866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.393866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.393866 (E_RNA)
where:
Base-Base interactions energy: -1181.436
where: short stacking energy: -517.903
Base-Backbone interact. energy: -2.163
local terms energy: -643.794789
where:
bonds (distance) C4'-P energy: -124.169
bonds (distance) P-C4' energy: -150.868
flat angles C4'-P-C4' energy: -149.161
flat angles P-C4'-P energy: -74.360
tors. eta vs tors. theta energy: -145.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1554.954036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.954036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.954036 (E_RNA)
where:
Base-Base interactions energy: -944.814
where: short stacking energy: -416.888
Base-Backbone interact. energy: 1.508
local terms energy: -611.647761
where:
bonds (distance) C4'-P energy: -136.755
bonds (distance) P-C4' energy: -142.691
flat angles C4'-P-C4' energy: -144.327
flat angles P-C4'-P energy: -88.017
tors. eta vs tors. theta energy: -99.857
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1384.359067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.359067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.359067 (E_RNA)
where:
Base-Base interactions energy: -872.375
where: short stacking energy: -422.888
Base-Backbone interact. energy: -2.352
local terms energy: -509.631728
where:
bonds (distance) C4'-P energy: -106.370
bonds (distance) P-C4' energy: -127.882
flat angles C4'-P-C4' energy: -129.772
flat angles P-C4'-P energy: -66.367
tors. eta vs tors. theta energy: -79.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1044.618837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.618837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.618837 (E_RNA)
where:
Base-Base interactions energy: -585.609
where: short stacking energy: -299.089
Base-Backbone interact. energy: 1.405
local terms energy: -460.415456
where:
bonds (distance) C4'-P energy: -103.316
bonds (distance) P-C4' energy: -141.702
flat angles C4'-P-C4' energy: -107.659
flat angles P-C4'-P energy: -71.049
tors. eta vs tors. theta energy: -36.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -643.246232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.246232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.246232 (E_RNA)
where:
Base-Base interactions energy: -260.001
where: short stacking energy: -188.190
Base-Backbone interact. energy: 1.934
local terms energy: -385.178432
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -119.798
flat angles C4'-P-C4' energy: -112.117
flat angles P-C4'-P energy: -66.879
tors. eta vs tors. theta energy: 24.292
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: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -2714.759770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.759770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.759770 (E_RNA)
where:
Base-Base interactions energy: -1908.108
where: short stacking energy: -757.670
Base-Backbone interact. energy: -2.306
local terms energy: -804.346251
where:
bonds (distance) C4'-P energy: -143.687
bonds (distance) P-C4' energy: -148.742
flat angles C4'-P-C4' energy: -176.069
flat angles P-C4'-P energy: -113.187
tors. eta vs tors. theta energy: -222.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2523.632515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.632515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.632515 (E_RNA)
where:
Base-Base interactions energy: -1739.765
where: short stacking energy: -696.047
Base-Backbone interact. energy: -0.447
local terms energy: -783.420291
where:
bonds (distance) C4'-P energy: -147.478
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -163.002
flat angles P-C4'-P energy: -110.378
tors. eta vs tors. theta energy: -217.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -2418.329509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.329509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.329509 (E_RNA)
where:
Base-Base interactions energy: -1618.978
where: short stacking energy: -704.096
Base-Backbone interact. energy: -2.721
local terms energy: -796.631230
where:
bonds (distance) C4'-P energy: -135.217
bonds (distance) P-C4' energy: -157.612
flat angles C4'-P-C4' energy: -173.740
flat angles P-C4'-P energy: -105.879
tors. eta vs tors. theta energy: -224.184
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: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -2299.364319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.364319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.364319 (E_RNA)
where:
Base-Base interactions energy: -1571.452
where: short stacking energy: -668.329
Base-Backbone interact. energy: -1.578
local terms energy: -726.334087
where:
bonds (distance) C4'-P energy: -127.995
bonds (distance) P-C4' energy: -141.775
flat angles C4'-P-C4' energy: -157.832
flat angles P-C4'-P energy: -106.270
tors. eta vs tors. theta energy: -192.462
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: 9
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -2090.600187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.600187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.600187 (E_RNA)
where:
Base-Base interactions energy: -1404.490
where: short stacking energy: -581.096
Base-Backbone interact. energy: 1.469
local terms energy: -687.578956
where:
bonds (distance) C4'-P energy: -128.982
bonds (distance) P-C4' energy: -128.514
flat angles C4'-P-C4' energy: -153.662
flat angles P-C4'-P energy: -103.794
tors. eta vs tors. theta energy: -172.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1864.511424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.511424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.511424 (E_RNA)
where:
Base-Base interactions energy: -1187.997
where: short stacking energy: -506.866
Base-Backbone interact. energy: -4.489
local terms energy: -672.026092
where:
bonds (distance) C4'-P energy: -137.984
bonds (distance) P-C4' energy: -132.415
flat angles C4'-P-C4' energy: -157.872
flat angles P-C4'-P energy: -114.702
tors. eta vs tors. theta energy: -129.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1560.237197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.237197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.237197 (E_RNA)
where:
Base-Base interactions energy: -995.412
where: short stacking energy: -460.250
Base-Backbone interact. energy: -3.125
local terms energy: -561.700723
where:
bonds (distance) C4'-P energy: -141.752
bonds (distance) P-C4' energy: -102.962
flat angles C4'-P-C4' energy: -139.634
flat angles P-C4'-P energy: -76.929
tors. eta vs tors. theta energy: -100.424
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: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1367.048344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.048344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.048344 (E_RNA)
where:
Base-Base interactions energy: -851.584
where: short stacking energy: -375.986
Base-Backbone interact. energy: -0.197
local terms energy: -515.267130
where:
bonds (distance) C4'-P energy: -116.809
bonds (distance) P-C4' energy: -129.545
flat angles C4'-P-C4' energy: -124.568
flat angles P-C4'-P energy: -60.870
tors. eta vs tors. theta energy: -83.475
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: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1022.744548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.744548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.744548 (E_RNA)
where:
Base-Base interactions energy: -562.934
where: short stacking energy: -286.678
Base-Backbone interact. energy: -1.512
local terms energy: -458.298174
where:
bonds (distance) C4'-P energy: -119.152
bonds (distance) P-C4' energy: -141.530
flat angles C4'-P-C4' energy: -112.718
flat angles P-C4'-P energy: -54.752
tors. eta vs tors. theta energy: -30.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -601.955033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.955033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.955033 (E_RNA)
where:
Base-Base interactions energy: -205.031
where: short stacking energy: -149.314
Base-Backbone interact. energy: 1.043
local terms energy: -397.966533
where:
bonds (distance) C4'-P energy: -132.917
bonds (distance) P-C4' energy: -119.631
flat angles C4'-P-C4' energy: -99.530
flat angles P-C4'-P energy: -63.746
tors. eta vs tors. theta energy: 17.858
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: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2702.029384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.029384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.029384 (E_RNA)
where:
Base-Base interactions energy: -1912.431
where: short stacking energy: -773.582
Base-Backbone interact. energy: -4.576
local terms energy: -785.022551
where:
bonds (distance) C4'-P energy: -138.465
bonds (distance) P-C4' energy: -147.099
flat angles C4'-P-C4' energy: -168.589
flat angles P-C4'-P energy: -117.728
tors. eta vs tors. theta energy: -213.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -2523.998336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2523.998336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2523.998336 (E_RNA)
where:
Base-Base interactions energy: -1723.711
where: short stacking energy: -701.294
Base-Backbone interact. energy: -3.585
local terms energy: -796.702237
where:
bonds (distance) C4'-P energy: -140.132
bonds (distance) P-C4' energy: -153.153
flat angles C4'-P-C4' energy: -165.215
flat angles P-C4'-P energy: -120.747
tors. eta vs tors. theta energy: -217.456
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: 303
Temperature: 1.000000
Total energy: -2452.972617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.972617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.972617 (E_RNA)
where:
Base-Base interactions energy: -1640.385
where: short stacking energy: -744.164
Base-Backbone interact. energy: -2.906
local terms energy: -809.681856
where:
bonds (distance) C4'-P energy: -149.179
bonds (distance) P-C4' energy: -139.521
flat angles C4'-P-C4' energy: -174.501
flat angles P-C4'-P energy: -110.900
tors. eta vs tors. theta energy: -235.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -2291.684031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.684031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.684031 (E_RNA)
where:
Base-Base interactions energy: -1569.378
where: short stacking energy: -611.989
Base-Backbone interact. energy: -3.498
local terms energy: -718.807716
where:
bonds (distance) C4'-P energy: -136.100
bonds (distance) P-C4' energy: -137.230
flat angles C4'-P-C4' energy: -160.435
flat angles P-C4'-P energy: -89.950
tors. eta vs tors. theta energy: -195.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -2065.475788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.475788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.475788 (E_RNA)
where:
Base-Base interactions energy: -1385.226
where: short stacking energy: -586.735
Base-Backbone interact. energy: -2.136
local terms energy: -678.113191
where:
bonds (distance) C4'-P energy: -121.114
bonds (distance) P-C4' energy: -146.821
flat angles C4'-P-C4' energy: -152.107
flat angles P-C4'-P energy: -102.005
tors. eta vs tors. theta energy: -156.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1887.144951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.144951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.144951 (E_RNA)
where:
Base-Base interactions energy: -1210.448
where: short stacking energy: -551.497
Base-Backbone interact. energy: 0.724
local terms energy: -677.420808
where:
bonds (distance) C4'-P energy: -138.451
bonds (distance) P-C4' energy: -145.076
flat angles C4'-P-C4' energy: -145.937
flat angles P-C4'-P energy: -94.633
tors. eta vs tors. theta energy: -153.324
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: 7, replica: 4
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1543.297533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.297533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.297533 (E_RNA)
where:
Base-Base interactions energy: -953.560
where: short stacking energy: -399.104
Base-Backbone interact. energy: -0.829
local terms energy: -588.907885
where:
bonds (distance) C4'-P energy: -131.187
bonds (distance) P-C4' energy: -119.450
flat angles C4'-P-C4' energy: -142.474
flat angles P-C4'-P energy: -91.294
tors. eta vs tors. theta energy: -104.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1351.718751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.718751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.718751 (E_RNA)
where:
Base-Base interactions energy: -820.874
where: short stacking energy: -371.887
Base-Backbone interact. energy: -1.165
local terms energy: -529.680459
where:
bonds (distance) C4'-P energy: -121.336
bonds (distance) P-C4' energy: -143.477
flat angles C4'-P-C4' energy: -111.282
flat angles P-C4'-P energy: -85.750
tors. eta vs tors. theta energy: -67.835
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: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -993.377965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.377965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.377965 (E_RNA)
where:
Base-Base interactions energy: -563.031
where: short stacking energy: -284.627
Base-Backbone interact. energy: 11.428
local terms energy: -441.774336
where:
bonds (distance) C4'-P energy: -120.472
bonds (distance) P-C4' energy: -123.903
flat angles C4'-P-C4' energy: -104.733
flat angles P-C4'-P energy: -58.102
tors. eta vs tors. theta energy: -34.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -557.845096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.845096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.845096 (E_RNA)
where:
Base-Base interactions energy: -178.501
where: short stacking energy: -128.028
Base-Backbone interact. energy: -0.403
local terms energy: -378.941466
where:
bonds (distance) C4'-P energy: -130.765
bonds (distance) P-C4' energy: -135.275
flat angles C4'-P-C4' energy: -105.490
flat angles P-C4'-P energy: -46.272
tors. eta vs tors. theta energy: 38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2702.617508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.617508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.617508 (E_RNA)
where:
Base-Base interactions energy: -1878.963
where: short stacking energy: -745.672
Base-Backbone interact. energy: -3.199
local terms energy: -820.455151
where:
bonds (distance) C4'-P energy: -155.470
bonds (distance) P-C4' energy: -155.454
flat angles C4'-P-C4' energy: -169.627
flat angles P-C4'-P energy: -119.389
tors. eta vs tors. theta energy: -220.515
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: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2517.958274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.958274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.958274 (E_RNA)
where:
Base-Base interactions energy: -1740.062
where: short stacking energy: -709.388
Base-Backbone interact. energy: -2.720
local terms energy: -775.176916
where:
bonds (distance) C4'-P energy: -129.511
bonds (distance) P-C4' energy: -167.438
flat angles C4'-P-C4' energy: -161.463
flat angles P-C4'-P energy: -110.115
tors. eta vs tors. theta energy: -206.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -2448.495635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.495635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.495635 (E_RNA)
where:
Base-Base interactions energy: -1668.670
where: short stacking energy: -710.558
Base-Backbone interact. energy: 0.466
local terms energy: -780.291763
where:
bonds (distance) C4'-P energy: -129.462
bonds (distance) P-C4' energy: -146.347
flat angles C4'-P-C4' energy: -173.582
flat angles P-C4'-P energy: -104.765
tors. eta vs tors. theta energy: -226.136
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: 4, replica: 3
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -2354.252037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2354.252037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2354.252037 (E_RNA)
where:
Base-Base interactions energy: -1612.689
where: short stacking energy: -659.927
Base-Backbone interact. energy: -1.951
local terms energy: -739.611239
where:
bonds (distance) C4'-P energy: -131.381
bonds (distance) P-C4' energy: -144.407
flat angles C4'-P-C4' energy: -154.578
flat angles P-C4'-P energy: -98.500
tors. eta vs tors. theta energy: -210.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -2098.792138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.792138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.792138 (E_RNA)
where:
Base-Base interactions energy: -1411.183
where: short stacking energy: -595.636
Base-Backbone interact. energy: 0.245
local terms energy: -687.853289
where:
bonds (distance) C4'-P energy: -135.855
bonds (distance) P-C4' energy: -136.649
flat angles C4'-P-C4' energy: -155.530
flat angles P-C4'-P energy: -91.417
tors. eta vs tors. theta energy: -168.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1910.190314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.190314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.190314 (E_RNA)
where:
Base-Base interactions energy: -1254.757
where: short stacking energy: -557.471
Base-Backbone interact. energy: -2.382
local terms energy: -653.051255
where:
bonds (distance) C4'-P energy: -117.984
bonds (distance) P-C4' energy: -134.834
flat angles C4'-P-C4' energy: -150.014
flat angles P-C4'-P energy: -91.819
tors. eta vs tors. theta energy: -158.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1524.084083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.084083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.084083 (E_RNA)
where:
Base-Base interactions energy: -942.799
where: short stacking energy: -431.529
Base-Backbone interact. energy: -3.969
local terms energy: -577.316200
where:
bonds (distance) C4'-P energy: -133.801
bonds (distance) P-C4' energy: -130.292
flat angles C4'-P-C4' energy: -124.918
flat angles P-C4'-P energy: -94.961
tors. eta vs tors. theta energy: -93.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1433.608106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.608106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.608106 (E_RNA)
where:
Base-Base interactions energy: -879.914
where: short stacking energy: -417.639
Base-Backbone interact. energy: 1.933
local terms energy: -555.627177
where:
bonds (distance) C4'-P energy: -130.935
bonds (distance) P-C4' energy: -130.355
flat angles C4'-P-C4' energy: -132.554
flat angles P-C4'-P energy: -78.907
tors. eta vs tors. theta energy: -82.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1061.297623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.297623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.297623 (E_RNA)
where:
Base-Base interactions energy: -572.375
where: short stacking energy: -285.689
Base-Backbone interact. energy: 3.095
local terms energy: -492.016884
where:
bonds (distance) C4'-P energy: -126.012
bonds (distance) P-C4' energy: -137.303
flat angles C4'-P-C4' energy: -119.215
flat angles P-C4'-P energy: -82.937
tors. eta vs tors. theta energy: -26.550
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: 1
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -569.435381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.435381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.435381 (E_RNA)
where:
Base-Base interactions energy: -230.475
where: short stacking energy: -163.397
Base-Backbone interact. energy: -2.462
local terms energy: -336.498805
where:
bonds (distance) C4'-P energy: -105.211
bonds (distance) P-C4' energy: -107.929
flat angles C4'-P-C4' energy: -85.596
flat angles P-C4'-P energy: -57.993
tors. eta vs tors. theta energy: 20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2703.948480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.948480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.948480 (E_RNA)
where:
Base-Base interactions energy: -1916.910
where: short stacking energy: -764.775
Base-Backbone interact. energy: -4.313
local terms energy: -782.725259
where:
bonds (distance) C4'-P energy: -143.692
bonds (distance) P-C4' energy: -133.986
flat angles C4'-P-C4' energy: -178.604
flat angles P-C4'-P energy: -96.987
tors. eta vs tors. theta energy: -229.456
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: 305
Temperature: 0.950000
Total energy: -2527.308791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.308791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.308791 (E_RNA)
where:
Base-Base interactions energy: -1728.719
where: short stacking energy: -727.698
Base-Backbone interact. energy: -0.528
local terms energy: -798.061846
where:
bonds (distance) C4'-P energy: -135.196
bonds (distance) P-C4' energy: -146.809
flat angles C4'-P-C4' energy: -176.314
flat angles P-C4'-P energy: -120.027
tors. eta vs tors. theta energy: -219.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -2486.968703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.968703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.968703 (E_RNA)
where:
Base-Base interactions energy: -1711.789
where: short stacking energy: -706.467
Base-Backbone interact. energy: -0.893
local terms energy: -774.286388
where:
bonds (distance) C4'-P energy: -139.302
bonds (distance) P-C4' energy: -133.628
flat angles C4'-P-C4' energy: -168.485
flat angles P-C4'-P energy: -123.716
tors. eta vs tors. theta energy: -209.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -2304.905824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.905824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.905824 (E_RNA)
where:
Base-Base interactions energy: -1551.635
where: short stacking energy: -669.602
Base-Backbone interact. energy: 0.107
local terms energy: -753.377051
where:
bonds (distance) C4'-P energy: -144.099
bonds (distance) P-C4' energy: -138.529
flat angles C4'-P-C4' energy: -164.936
flat angles P-C4'-P energy: -107.214
tors. eta vs tors. theta energy: -198.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -2124.253924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.253924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.253924 (E_RNA)
where:
Base-Base interactions energy: -1428.658
where: short stacking energy: -605.941
Base-Backbone interact. energy: -2.391
local terms energy: -693.204296
where:
bonds (distance) C4'-P energy: -129.890
bonds (distance) P-C4' energy: -136.507
flat angles C4'-P-C4' energy: -144.053
flat angles P-C4'-P energy: -101.923
tors. eta vs tors. theta energy: -180.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1935.260866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.260866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.260866 (E_RNA)
where:
Base-Base interactions energy: -1296.384
where: short stacking energy: -551.125
Base-Backbone interact. energy: 1.277
local terms energy: -640.154107
where:
bonds (distance) C4'-P energy: -137.537
bonds (distance) P-C4' energy: -123.444
flat angles C4'-P-C4' energy: -136.041
flat angles P-C4'-P energy: -88.733
tors. eta vs tors. theta energy: -154.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -1485.486637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.486637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.486637 (E_RNA)
where:
Base-Base interactions energy: -900.040
where: short stacking energy: -437.343
Base-Backbone interact. energy: 2.576
local terms energy: -588.022305
where:
bonds (distance) C4'-P energy: -137.683
bonds (distance) P-C4' energy: -140.292
flat angles C4'-P-C4' energy: -123.077
flat angles P-C4'-P energy: -93.342
tors. eta vs tors. theta energy: -93.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1391.258878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.258878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.258878 (E_RNA)
where:
Base-Base interactions energy: -856.659
where: short stacking energy: -392.458
Base-Backbone interact. energy: -0.930
local terms energy: -533.670348
where:
bonds (distance) C4'-P energy: -124.726
bonds (distance) P-C4' energy: -113.011
flat angles C4'-P-C4' energy: -138.122
flat angles P-C4'-P energy: -79.776
tors. eta vs tors. theta energy: -78.035
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: 9, replica: 7
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1029.704919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.704919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.704919 (E_RNA)
where:
Base-Base interactions energy: -598.102
where: short stacking energy: -270.406
Base-Backbone interact. energy: 1.895
local terms energy: -433.497810
where:
bonds (distance) C4'-P energy: -119.884
bonds (distance) P-C4' energy: -124.845
flat angles C4'-P-C4' energy: -107.169
flat angles P-C4'-P energy: -73.607
tors. eta vs tors. theta energy: -7.993
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: 1
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -577.160176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.160176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.160176 (E_RNA)
where:
Base-Base interactions energy: -232.366
where: short stacking energy: -152.162
Base-Backbone interact. energy: 5.534
local terms energy: -350.328228
where:
bonds (distance) C4'-P energy: -103.657
bonds (distance) P-C4' energy: -136.620
flat angles C4'-P-C4' energy: -96.414
flat angles P-C4'-P energy: -61.855
tors. eta vs tors. theta energy: 48.218
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: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2696.689669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.689669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.689669 (E_RNA)
where:
Base-Base interactions energy: -1872.113
where: short stacking energy: -769.364
Base-Backbone interact. energy: -0.673
local terms energy: -823.903186
where:
bonds (distance) C4'-P energy: -141.965
bonds (distance) P-C4' energy: -147.833
flat angles C4'-P-C4' energy: -185.699
flat angles P-C4'-P energy: -113.036
tors. eta vs tors. theta energy: -235.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2507.991076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.991076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.991076 (E_RNA)
where:
Base-Base interactions energy: -1715.156
where: short stacking energy: -733.430
Base-Backbone interact. energy: -0.954
local terms energy: -791.881231
where:
bonds (distance) C4'-P energy: -128.910
bonds (distance) P-C4' energy: -148.618
flat angles C4'-P-C4' energy: -178.323
flat angles P-C4'-P energy: -116.286
tors. eta vs tors. theta energy: -219.745
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -2432.096509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.096509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.096509 (E_RNA)
where:
Base-Base interactions energy: -1688.321
where: short stacking energy: -708.406
Base-Backbone interact. energy: 1.767
local terms energy: -745.543028
where:
bonds (distance) C4'-P energy: -127.670
bonds (distance) P-C4' energy: -145.043
flat angles C4'-P-C4' energy: -160.562
flat angles P-C4'-P energy: -105.162
tors. eta vs tors. theta energy: -207.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -2332.068930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.068930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.068930 (E_RNA)
where:
Base-Base interactions energy: -1606.678
where: short stacking energy: -687.875
Base-Backbone interact. energy: -1.007
local terms energy: -724.384224
where:
bonds (distance) C4'-P energy: -129.850
bonds (distance) P-C4' energy: -140.065
flat angles C4'-P-C4' energy: -157.665
flat angles P-C4'-P energy: -98.130
tors. eta vs tors. theta energy: -198.675
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: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -2135.414286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.414286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.414286 (E_RNA)
where:
Base-Base interactions energy: -1469.659
where: short stacking energy: -604.875
Base-Backbone interact. energy: -1.782
local terms energy: -663.972596
where:
bonds (distance) C4'-P energy: -148.138
bonds (distance) P-C4' energy: -125.445
flat angles C4'-P-C4' energy: -135.616
flat angles P-C4'-P energy: -96.174
tors. eta vs tors. theta energy: -158.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1870.039302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.039302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.039302 (E_RNA)
where:
Base-Base interactions energy: -1211.032
where: short stacking energy: -528.578
Base-Backbone interact. energy: -0.731
local terms energy: -658.276466
where:
bonds (distance) C4'-P energy: -137.104
bonds (distance) P-C4' energy: -144.233
flat angles C4'-P-C4' energy: -142.659
flat angles P-C4'-P energy: -101.989
tors. eta vs tors. theta energy: -132.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1580.681488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.681488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.681488 (E_RNA)
where:
Base-Base interactions energy: -1006.819
where: short stacking energy: -444.119
Base-Backbone interact. energy: 1.215
local terms energy: -575.077092
where:
bonds (distance) C4'-P energy: -133.084
bonds (distance) P-C4' energy: -112.452
flat angles C4'-P-C4' energy: -154.766
flat angles P-C4'-P energy: -79.752
tors. eta vs tors. theta energy: -95.023
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: 306
Temperature: 1.250000
Total energy: -1415.504753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.504753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.504753 (E_RNA)
where:
Base-Base interactions energy: -903.352
where: short stacking energy: -418.734
Base-Backbone interact. energy: -0.994
local terms energy: -511.158971
where:
bonds (distance) C4'-P energy: -96.593
bonds (distance) P-C4' energy: -128.825
flat angles C4'-P-C4' energy: -132.474
flat angles P-C4'-P energy: -77.776
tors. eta vs tors. theta energy: -75.491
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: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1030.386051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.386051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.386051 (E_RNA)
where:
Base-Base interactions energy: -557.162
where: short stacking energy: -279.617
Base-Backbone interact. energy: 0.861
local terms energy: -474.085106
where:
bonds (distance) C4'-P energy: -135.564
bonds (distance) P-C4' energy: -140.898
flat angles C4'-P-C4' energy: -104.044
flat angles P-C4'-P energy: -65.108
tors. eta vs tors. theta energy: -28.472
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: 10, replica: 1
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -544.851324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.851324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.851324 (E_RNA)
where:
Base-Base interactions energy: -178.824
where: short stacking energy: -136.486
Base-Backbone interact. energy: 1.116
local terms energy: -367.143609
where:
bonds (distance) C4'-P energy: -131.466
bonds (distance) P-C4' energy: -123.690
flat angles C4'-P-C4' energy: -91.831
flat angles P-C4'-P energy: -57.829
tors. eta vs tors. theta energy: 37.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2692.846849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.846849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.846849 (E_RNA)
where:
Base-Base interactions energy: -1882.079
where: short stacking energy: -756.436
Base-Backbone interact. energy: -1.963
local terms energy: -808.804141
where:
bonds (distance) C4'-P energy: -131.027
bonds (distance) P-C4' energy: -157.986
flat angles C4'-P-C4' energy: -175.030
flat angles P-C4'-P energy: -115.952
tors. eta vs tors. theta energy: -228.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2575.086157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.086157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.086157 (E_RNA)
where:
Base-Base interactions energy: -1772.884
where: short stacking energy: -763.395
Base-Backbone interact. energy: -2.040
local terms energy: -800.162180
where:
bonds (distance) C4'-P energy: -149.992
bonds (distance) P-C4' energy: -135.473
flat angles C4'-P-C4' energy: -165.079
flat angles P-C4'-P energy: -112.171
tors. eta vs tors. theta energy: -237.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -2478.923160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.923160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.923160 (E_RNA)
where:
Base-Base interactions energy: -1740.654
where: short stacking energy: -698.011
Base-Backbone interact. energy: -0.594
local terms energy: -737.675220
where:
bonds (distance) C4'-P energy: -130.300
bonds (distance) P-C4' energy: -136.390
flat angles C4'-P-C4' energy: -162.838
flat angles P-C4'-P energy: -107.384
tors. eta vs tors. theta energy: -200.763
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -2298.584226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.584226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.584226 (E_RNA)
where:
Base-Base interactions energy: -1561.476
where: short stacking energy: -623.972
Base-Backbone interact. energy: -1.325
local terms energy: -735.782839
where:
bonds (distance) C4'-P energy: -142.413
bonds (distance) P-C4' energy: -142.715
flat angles C4'-P-C4' energy: -165.424
flat angles P-C4'-P energy: -93.768
tors. eta vs tors. theta energy: -191.463
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: 9
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -2141.942964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2141.942964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2141.942964 (E_RNA)
where:
Base-Base interactions energy: -1442.473
where: short stacking energy: -587.234
Base-Backbone interact. energy: -2.839
local terms energy: -696.630859
where:
bonds (distance) C4'-P energy: -143.580
bonds (distance) P-C4' energy: -149.374
flat angles C4'-P-C4' energy: -155.093
flat angles P-C4'-P energy: -93.339
tors. eta vs tors. theta energy: -155.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1894.530527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.530527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.530527 (E_RNA)
where:
Base-Base interactions energy: -1257.542
where: short stacking energy: -542.178
Base-Backbone interact. energy: -0.090
local terms energy: -636.898240
where:
bonds (distance) C4'-P energy: -137.344
bonds (distance) P-C4' energy: -115.961
flat angles C4'-P-C4' energy: -159.816
flat angles P-C4'-P energy: -88.222
tors. eta vs tors. theta energy: -135.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1645.899448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.899448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.899448 (E_RNA)
where:
Base-Base interactions energy: -1078.526
where: short stacking energy: -449.629
Base-Backbone interact. energy: 0.600
local terms energy: -567.973632
where:
bonds (distance) C4'-P energy: -119.356
bonds (distance) P-C4' energy: -124.028
flat angles C4'-P-C4' energy: -138.334
flat angles P-C4'-P energy: -82.124
tors. eta vs tors. theta energy: -104.131
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: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1274.153009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.153009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.153009 (E_RNA)
where:
Base-Base interactions energy: -769.330
where: short stacking energy: -362.610
Base-Backbone interact. energy: 2.062
local terms energy: -506.884934
where:
bonds (distance) C4'-P energy: -116.751
bonds (distance) P-C4' energy: -153.901
flat angles C4'-P-C4' energy: -105.475
flat angles P-C4'-P energy: -69.383
tors. eta vs tors. theta energy: -61.375
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: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1062.274563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.274563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.274563 (E_RNA)
where:
Base-Base interactions energy: -597.070
where: short stacking energy: -302.860
Base-Backbone interact. energy: -2.323
local terms energy: -462.881232
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -137.324
flat angles C4'-P-C4' energy: -114.120
flat angles P-C4'-P energy: -62.676
tors. eta vs tors. theta energy: -37.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -565.254471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.254471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.254471 (E_RNA)
where:
Base-Base interactions energy: -192.425
where: short stacking energy: -145.378
Base-Backbone interact. energy: 1.631
local terms energy: -374.460482
where:
bonds (distance) C4'-P energy: -130.111
bonds (distance) P-C4' energy: -129.483
flat angles C4'-P-C4' energy: -100.791
flat angles P-C4'-P energy: -55.441
tors. eta vs tors. theta energy: 41.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2614.964690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.964690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.964690 (E_RNA)
where:
Base-Base interactions energy: -1800.571
where: short stacking energy: -768.121
Base-Backbone interact. energy: -2.141
local terms energy: -812.252550
where:
bonds (distance) C4'-P energy: -141.579
bonds (distance) P-C4' energy: -149.229
flat angles C4'-P-C4' energy: -170.767
flat angles P-C4'-P energy: -114.653
tors. eta vs tors. theta energy: -236.025
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: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -2622.921470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.921470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.921470 (E_RNA)
where:
Base-Base interactions energy: -1821.845
where: short stacking energy: -744.980
Base-Backbone interact. energy: 0.088
local terms energy: -801.164435
where:
bonds (distance) C4'-P energy: -148.112
bonds (distance) P-C4' energy: -143.855
flat angles C4'-P-C4' energy: -181.649
flat angles P-C4'-P energy: -105.655
tors. eta vs tors. theta energy: -221.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -2474.308186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.308186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.308186 (E_RNA)
where:
Base-Base interactions energy: -1724.559
where: short stacking energy: -712.929
Base-Backbone interact. energy: 1.585
local terms energy: -751.334589
where:
bonds (distance) C4'-P energy: -131.251
bonds (distance) P-C4' energy: -149.118
flat angles C4'-P-C4' energy: -155.856
flat angles P-C4'-P energy: -104.827
tors. eta vs tors. theta energy: -210.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -2342.286450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.286450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.286450 (E_RNA)
where:
Base-Base interactions energy: -1627.271
where: short stacking energy: -653.560
Base-Backbone interact. energy: -2.888
local terms energy: -712.127955
where:
bonds (distance) C4'-P energy: -135.047
bonds (distance) P-C4' energy: -133.604
flat angles C4'-P-C4' energy: -150.484
flat angles P-C4'-P energy: -102.185
tors. eta vs tors. theta energy: -190.808
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: 9
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -2165.190889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.190889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.190889 (E_RNA)
where:
Base-Base interactions energy: -1458.856
where: short stacking energy: -597.145
Base-Backbone interact. energy: -0.706
local terms energy: -705.629472
where:
bonds (distance) C4'-P energy: -132.397
bonds (distance) P-C4' energy: -149.139
flat angles C4'-P-C4' energy: -151.923
flat angles P-C4'-P energy: -100.866
tors. eta vs tors. theta energy: -171.304
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: 10
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1869.810699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.810699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.810699 (E_RNA)
where:
Base-Base interactions energy: -1234.351
where: short stacking energy: -534.873
Base-Backbone interact. energy: -3.663
local terms energy: -631.797032
where:
bonds (distance) C4'-P energy: -131.374
bonds (distance) P-C4' energy: -133.350
flat angles C4'-P-C4' energy: -153.223
flat angles P-C4'-P energy: -74.103
tors. eta vs tors. theta energy: -139.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1627.664797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.664797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.664797 (E_RNA)
where:
Base-Base interactions energy: -998.940
where: short stacking energy: -449.616
Base-Backbone interact. energy: -1.845
local terms energy: -626.879860
where:
bonds (distance) C4'-P energy: -120.903
bonds (distance) P-C4' energy: -143.128
flat angles C4'-P-C4' energy: -142.624
flat angles P-C4'-P energy: -95.415
tors. eta vs tors. theta energy: -124.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1332.585357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.585357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.585357 (E_RNA)
where:
Base-Base interactions energy: -825.484
where: short stacking energy: -384.304
Base-Backbone interact. energy: 4.864
local terms energy: -511.965398
where:
bonds (distance) C4'-P energy: -115.931
bonds (distance) P-C4' energy: -125.829
flat angles C4'-P-C4' energy: -122.075
flat angles P-C4'-P energy: -83.362
tors. eta vs tors. theta energy: -64.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1068.060457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.060457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.060457 (E_RNA)
where:
Base-Base interactions energy: -617.260
where: short stacking energy: -316.932
Base-Backbone interact. energy: 1.991
local terms energy: -452.792226
where:
bonds (distance) C4'-P energy: -111.240
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -126.199
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -37.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -556.758371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.758371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.758371 (E_RNA)
where:
Base-Base interactions energy: -199.888
where: short stacking energy: -154.373
Base-Backbone interact. energy: -1.485
local terms energy: -355.385684
where:
bonds (distance) C4'-P energy: -99.590
bonds (distance) P-C4' energy: -126.138
flat angles C4'-P-C4' energy: -116.337
flat angles P-C4'-P energy: -48.504
tors. eta vs tors. theta energy: 35.184
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2628.148845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.148845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.148845 (E_RNA)
where:
Base-Base interactions energy: -1799.254
where: short stacking energy: -768.432
Base-Backbone interact. energy: -3.013
local terms energy: -825.882185
where:
bonds (distance) C4'-P energy: -151.012
bonds (distance) P-C4' energy: -145.887
flat angles C4'-P-C4' energy: -176.674
flat angles P-C4'-P energy: -112.802
tors. eta vs tors. theta energy: -239.508
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: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2636.519708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.519708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.519708 (E_RNA)
where:
Base-Base interactions energy: -1818.636
where: short stacking energy: -742.889
Base-Backbone interact. energy: -3.722
local terms energy: -814.162477
where:
bonds (distance) C4'-P energy: -148.098
bonds (distance) P-C4' energy: -154.261
flat angles C4'-P-C4' energy: -176.427
flat angles P-C4'-P energy: -115.383
tors. eta vs tors. theta energy: -219.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -2449.717238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.717238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.717238 (E_RNA)
where:
Base-Base interactions energy: -1720.680
where: short stacking energy: -717.141
Base-Backbone interact. energy: -1.663
local terms energy: -727.373608
where:
bonds (distance) C4'-P energy: -123.761
bonds (distance) P-C4' energy: -132.457
flat angles C4'-P-C4' energy: -159.432
flat angles P-C4'-P energy: -103.365
tors. eta vs tors. theta energy: -208.359
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: 3
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -2291.285072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.285072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.285072 (E_RNA)
where:
Base-Base interactions energy: -1597.450
where: short stacking energy: -654.938
Base-Backbone interact. energy: -2.652
local terms energy: -691.183291
where:
bonds (distance) C4'-P energy: -127.478
bonds (distance) P-C4' energy: -131.827
flat angles C4'-P-C4' energy: -136.591
flat angles P-C4'-P energy: -97.955
tors. eta vs tors. theta energy: -197.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -2202.744424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.744424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.744424 (E_RNA)
where:
Base-Base interactions energy: -1514.891
where: short stacking energy: -627.838
Base-Backbone interact. energy: -1.805
local terms energy: -686.048472
where:
bonds (distance) C4'-P energy: -139.115
bonds (distance) P-C4' energy: -122.285
flat angles C4'-P-C4' energy: -157.659
flat angles P-C4'-P energy: -90.168
tors. eta vs tors. theta energy: -176.821
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: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1917.651338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.651338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.651338 (E_RNA)
where:
Base-Base interactions energy: -1284.157
where: short stacking energy: -553.235
Base-Backbone interact. energy: 1.438
local terms energy: -634.931993
where:
bonds (distance) C4'-P energy: -103.099
bonds (distance) P-C4' energy: -140.375
flat angles C4'-P-C4' energy: -140.709
flat angles P-C4'-P energy: -92.032
tors. eta vs tors. theta energy: -158.717
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: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1555.087715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.087715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.087715 (E_RNA)
where:
Base-Base interactions energy: -985.405
where: short stacking energy: -448.640
Base-Backbone interact. energy: -1.501
local terms energy: -568.181885
where:
bonds (distance) C4'-P energy: -101.968
bonds (distance) P-C4' energy: -115.615
flat angles C4'-P-C4' energy: -149.532
flat angles P-C4'-P energy: -78.130
tors. eta vs tors. theta energy: -122.937
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: 4
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1359.038463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.038463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.038463 (E_RNA)
where:
Base-Base interactions energy: -806.219
where: short stacking energy: -371.042
Base-Backbone interact. energy: -2.885
local terms energy: -549.934180
where:
bonds (distance) C4'-P energy: -129.805
bonds (distance) P-C4' energy: -126.226
flat angles C4'-P-C4' energy: -126.976
flat angles P-C4'-P energy: -80.764
tors. eta vs tors. theta energy: -86.164
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: 9, replica: 7
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1061.241395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.241395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.241395 (E_RNA)
where:
Base-Base interactions energy: -603.376
where: short stacking energy: -281.762
Base-Backbone interact. energy: -2.035
local terms energy: -455.830433
where:
bonds (distance) C4'-P energy: -122.522
bonds (distance) P-C4' energy: -129.570
flat angles C4'-P-C4' energy: -126.938
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -31.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -550.839562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.839562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.839562 (E_RNA)
where:
Base-Base interactions energy: -165.510
where: short stacking energy: -142.614
Base-Backbone interact. energy: 4.406
local terms energy: -389.735184
where:
bonds (distance) C4'-P energy: -101.346
bonds (distance) P-C4' energy: -141.066
flat angles C4'-P-C4' energy: -100.492
flat angles P-C4'-P energy: -63.126
tors. eta vs tors. theta energy: 16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2635.981527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.981527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.981527 (E_RNA)
where:
Base-Base interactions energy: -1815.711
where: short stacking energy: -753.455
Base-Backbone interact. energy: -1.974
local terms energy: -818.296610
where:
bonds (distance) C4'-P energy: -148.274
bonds (distance) P-C4' energy: -159.178
flat angles C4'-P-C4' energy: -172.685
flat angles P-C4'-P energy: -111.206
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: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2635.272481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2635.272481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2635.272481 (E_RNA)
where:
Base-Base interactions energy: -1832.279
where: short stacking energy: -745.224
Base-Backbone interact. energy: -1.804
local terms energy: -801.189748
where:
bonds (distance) C4'-P energy: -145.587
bonds (distance) P-C4' energy: -156.590
flat angles C4'-P-C4' energy: -166.627
flat angles P-C4'-P energy: -107.446
tors. eta vs tors. theta energy: -224.940
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: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -2468.838624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.838624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.838624 (E_RNA)
where:
Base-Base interactions energy: -1713.077
where: short stacking energy: -697.619
Base-Backbone interact. energy: -1.743
local terms energy: -754.019223
where:
bonds (distance) C4'-P energy: -126.462
bonds (distance) P-C4' energy: -143.519
flat angles C4'-P-C4' energy: -164.870
flat angles P-C4'-P energy: -97.402
tors. eta vs tors. theta energy: -221.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -2350.081934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.081934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.081934 (E_RNA)
where:
Base-Base interactions energy: -1592.615
where: short stacking energy: -652.294
Base-Backbone interact. energy: -2.660
local terms energy: -754.807266
where:
bonds (distance) C4'-P energy: -131.058
bonds (distance) P-C4' energy: -150.169
flat angles C4'-P-C4' energy: -176.537
flat angles P-C4'-P energy: -99.305
tors. eta vs tors. theta energy: -197.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -2203.500473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.500473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.500473 (E_RNA)
where:
Base-Base interactions energy: -1513.685
where: short stacking energy: -587.026
Base-Backbone interact. energy: 0.368
local terms energy: -690.182577
where:
bonds (distance) C4'-P energy: -143.166
bonds (distance) P-C4' energy: -139.630
flat angles C4'-P-C4' energy: -144.302
flat angles P-C4'-P energy: -90.414
tors. eta vs tors. theta energy: -172.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1906.915370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.915370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.915370 (E_RNA)
where:
Base-Base interactions energy: -1269.524
where: short stacking energy: -548.616
Base-Backbone interact. energy: 3.262
local terms energy: -640.653269
where:
bonds (distance) C4'-P energy: -136.210
bonds (distance) P-C4' energy: -144.242
flat angles C4'-P-C4' energy: -135.905
flat angles P-C4'-P energy: -79.436
tors. eta vs tors. theta energy: -144.860
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: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1492.642014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.642014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.642014 (E_RNA)
where:
Base-Base interactions energy: -916.657
where: short stacking energy: -460.295
Base-Backbone interact. energy: -1.193
local terms energy: -574.792038
where:
bonds (distance) C4'-P energy: -138.304
bonds (distance) P-C4' energy: -133.222
flat angles C4'-P-C4' energy: -108.240
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -121.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1271.346683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.346683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.346683 (E_RNA)
where:
Base-Base interactions energy: -748.118
where: short stacking energy: -342.705
Base-Backbone interact. energy: -0.837
local terms energy: -522.392578
where:
bonds (distance) C4'-P energy: -124.077
bonds (distance) P-C4' energy: -114.972
flat angles C4'-P-C4' energy: -133.225
flat angles P-C4'-P energy: -88.898
tors. eta vs tors. theta energy: -61.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1115.527204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.527204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.527204 (E_RNA)
where:
Base-Base interactions energy: -634.972
where: short stacking energy: -328.211
Base-Backbone interact. energy: 0.785
local terms energy: -481.339578
where:
bonds (distance) C4'-P energy: -98.385
bonds (distance) P-C4' energy: -144.460
flat angles C4'-P-C4' energy: -103.357
flat angles P-C4'-P energy: -76.435
tors. eta vs tors. theta energy: -58.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -561.910500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.910500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.910500 (E_RNA)
where:
Base-Base interactions energy: -177.213
where: short stacking energy: -156.491
Base-Backbone interact. energy: 4.286
local terms energy: -388.983331
where:
bonds (distance) C4'-P energy: -122.169
bonds (distance) P-C4' energy: -119.365
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: 32.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2638.865493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.865493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.865493 (E_RNA)
where:
Base-Base interactions energy: -1808.474
where: short stacking energy: -783.658
Base-Backbone interact. energy: 0.508
local terms energy: -830.900252
where:
bonds (distance) C4'-P energy: -143.976
bonds (distance) P-C4' energy: -155.049
flat angles C4'-P-C4' energy: -174.348
flat angles P-C4'-P energy: -121.629
tors. eta vs tors. theta energy: -235.898
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: 2
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2646.989850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.989850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.989850 (E_RNA)
where:
Base-Base interactions energy: -1846.806
where: short stacking energy: -748.341
Base-Backbone interact. energy: 5.185
local terms energy: -805.369582
where:
bonds (distance) C4'-P energy: -154.803
bonds (distance) P-C4' energy: -148.173
flat angles C4'-P-C4' energy: -164.633
flat angles P-C4'-P energy: -104.756
tors. eta vs tors. theta energy: -233.006
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: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -2495.593710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.593710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.593710 (E_RNA)
where:
Base-Base interactions energy: -1718.876
where: short stacking energy: -672.096
Base-Backbone interact. energy: -4.966
local terms energy: -771.751016
where:
bonds (distance) C4'-P energy: -137.072
bonds (distance) P-C4' energy: -149.754
flat angles C4'-P-C4' energy: -162.541
flat angles P-C4'-P energy: -115.893
tors. eta vs tors. theta energy: -206.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -2291.448895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2291.448895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2291.448895 (E_RNA)
where:
Base-Base interactions energy: -1573.648
where: short stacking energy: -672.987
Base-Backbone interact. energy: -1.764
local terms energy: -716.037028
where:
bonds (distance) C4'-P energy: -140.219
bonds (distance) P-C4' energy: -129.895
flat angles C4'-P-C4' energy: -165.641
flat angles P-C4'-P energy: -87.636
tors. eta vs tors. theta energy: -192.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -2134.090350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2134.090350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2134.090350 (E_RNA)
where:
Base-Base interactions energy: -1459.490
where: short stacking energy: -586.848
Base-Backbone interact. energy: -2.014
local terms energy: -672.586395
where:
bonds (distance) C4'-P energy: -128.636
bonds (distance) P-C4' energy: -132.764
flat angles C4'-P-C4' energy: -144.182
flat angles P-C4'-P energy: -93.610
tors. eta vs tors. theta energy: -173.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1934.174034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.174034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.174034 (E_RNA)
where:
Base-Base interactions energy: -1271.112
where: short stacking energy: -551.873
Base-Backbone interact. energy: 3.521
local terms energy: -666.582636
where:
bonds (distance) C4'-P energy: -130.767
bonds (distance) P-C4' energy: -140.527
flat angles C4'-P-C4' energy: -147.778
flat angles P-C4'-P energy: -98.182
tors. eta vs tors. theta energy: -149.328
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: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1539.404147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.404147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.404147 (E_RNA)
where:
Base-Base interactions energy: -983.825
where: short stacking energy: -436.365
Base-Backbone interact. energy: 3.317
local terms energy: -558.896382
where:
bonds (distance) C4'-P energy: -118.796
bonds (distance) P-C4' energy: -135.796
flat angles C4'-P-C4' energy: -127.064
flat angles P-C4'-P energy: -71.330
tors. eta vs tors. theta energy: -105.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1224.507294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.507294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.507294 (E_RNA)
where:
Base-Base interactions energy: -678.685
where: short stacking energy: -323.537
Base-Backbone interact. energy: -2.047
local terms energy: -543.775439
where:
bonds (distance) C4'-P energy: -141.248
bonds (distance) P-C4' energy: -142.739
flat angles C4'-P-C4' energy: -126.599
flat angles P-C4'-P energy: -75.859
tors. eta vs tors. theta energy: -57.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1071.229375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.229375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.229375 (E_RNA)
where:
Base-Base interactions energy: -613.283
where: short stacking energy: -271.203
Base-Backbone interact. energy: 2.426
local terms energy: -460.372839
where:
bonds (distance) C4'-P energy: -103.003
bonds (distance) P-C4' energy: -127.123
flat angles C4'-P-C4' energy: -138.723
flat angles P-C4'-P energy: -64.183
tors. eta vs tors. theta energy: -27.341
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: 1
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -568.931135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.931135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.931135 (E_RNA)
where:
Base-Base interactions energy: -192.448
where: short stacking energy: -156.469
Base-Backbone interact. energy: 2.930
local terms energy: -379.413563
where:
bonds (distance) C4'-P energy: -119.460
bonds (distance) P-C4' energy: -124.327
flat angles C4'-P-C4' energy: -106.183
flat angles P-C4'-P energy: -53.260
tors. eta vs tors. theta energy: 23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2712.637247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.637247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.637247 (E_RNA)
where:
Base-Base interactions energy: -1866.995
where: short stacking energy: -781.096
Base-Backbone interact. energy: 1.940
local terms energy: -847.581951
where:
bonds (distance) C4'-P energy: -159.207
bonds (distance) P-C4' energy: -165.453
flat angles C4'-P-C4' energy: -176.402
flat angles P-C4'-P energy: -112.415
tors. eta vs tors. theta energy: -234.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2587.147586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.147586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.147586 (E_RNA)
where:
Base-Base interactions energy: -1779.221
where: short stacking energy: -766.601
Base-Backbone interact. energy: -0.383
local terms energy: -807.543392
where:
bonds (distance) C4'-P energy: -145.972
bonds (distance) P-C4' energy: -145.194
flat angles C4'-P-C4' energy: -166.151
flat angles P-C4'-P energy: -119.531
tors. eta vs tors. theta energy: -230.695
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: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -2448.979707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.979707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.979707 (E_RNA)
where:
Base-Base interactions energy: -1674.102
where: short stacking energy: -684.326
Base-Backbone interact. energy: -7.125
local terms energy: -767.752542
where:
bonds (distance) C4'-P energy: -147.420
bonds (distance) P-C4' energy: -156.553
flat angles C4'-P-C4' energy: -162.266
flat angles P-C4'-P energy: -95.387
tors. eta vs tors. theta energy: -206.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -2271.670360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2271.670360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2271.670360 (E_RNA)
where:
Base-Base interactions energy: -1552.500
where: short stacking energy: -690.246
Base-Backbone interact. energy: -0.611
local terms energy: -718.559398
where:
bonds (distance) C4'-P energy: -130.274
bonds (distance) P-C4' energy: -136.482
flat angles C4'-P-C4' energy: -163.181
flat angles P-C4'-P energy: -81.187
tors. eta vs tors. theta energy: -207.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -2128.662913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.662913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.662913 (E_RNA)
where:
Base-Base interactions energy: -1409.655
where: short stacking energy: -610.416
Base-Backbone interact. energy: -2.091
local terms energy: -716.916512
where:
bonds (distance) C4'-P energy: -142.827
bonds (distance) P-C4' energy: -142.885
flat angles C4'-P-C4' energy: -162.016
flat angles P-C4'-P energy: -96.388
tors. eta vs tors. theta energy: -172.801
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: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1927.166754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.166754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.166754 (E_RNA)
where:
Base-Base interactions energy: -1301.627
where: short stacking energy: -563.255
Base-Backbone interact. energy: 1.614
local terms energy: -627.154246
where:
bonds (distance) C4'-P energy: -119.016
bonds (distance) P-C4' energy: -132.920
flat angles C4'-P-C4' energy: -123.595
flat angles P-C4'-P energy: -113.235
tors. eta vs tors. theta energy: -138.389
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: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1548.945640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.945640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.945640 (E_RNA)
where:
Base-Base interactions energy: -991.278
where: short stacking energy: -438.425
Base-Backbone interact. energy: 2.509
local terms energy: -560.176443
where:
bonds (distance) C4'-P energy: -110.246
bonds (distance) P-C4' energy: -122.967
flat angles C4'-P-C4' energy: -143.917
flat angles P-C4'-P energy: -77.286
tors. eta vs tors. theta energy: -105.760
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: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1225.887496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.887496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.887496 (E_RNA)
where:
Base-Base interactions energy: -682.383
where: short stacking energy: -330.638
Base-Backbone interact. energy: -6.764
local terms energy: -536.741285
where:
bonds (distance) C4'-P energy: -119.649
bonds (distance) P-C4' energy: -106.107
flat angles C4'-P-C4' energy: -140.782
flat angles P-C4'-P energy: -102.479
tors. eta vs tors. theta energy: -67.724
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: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1081.843568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.843568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.843568 (E_RNA)
where:
Base-Base interactions energy: -640.948
where: short stacking energy: -284.817
Base-Backbone interact. energy: -0.646
local terms energy: -440.249830
where:
bonds (distance) C4'-P energy: -99.223
bonds (distance) P-C4' energy: -125.510
flat angles C4'-P-C4' energy: -118.433
flat angles P-C4'-P energy: -57.178
tors. eta vs tors. theta energy: -39.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -558.279979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.279979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.279979 (E_RNA)
where:
Base-Base interactions energy: -182.549
where: short stacking energy: -141.344
Base-Backbone interact. energy: -1.202
local terms energy: -374.528272
where:
bonds (distance) C4'-P energy: -115.752
bonds (distance) P-C4' energy: -117.319
flat angles C4'-P-C4' energy: -122.698
flat angles P-C4'-P energy: -43.151
tors. eta vs tors. theta energy: 24.391
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: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2708.437510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.437510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.437510 (E_RNA)
where:
Base-Base interactions energy: -1884.334
where: short stacking energy: -784.628
Base-Backbone interact. energy: -2.327
local terms energy: -821.776251
where:
bonds (distance) C4'-P energy: -160.745
bonds (distance) P-C4' energy: -149.062
flat angles C4'-P-C4' energy: -168.528
flat angles P-C4'-P energy: -108.677
tors. eta vs tors. theta energy: -234.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2570.297381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.297381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.297381 (E_RNA)
where:
Base-Base interactions energy: -1775.015
where: short stacking energy: -745.196
Base-Backbone interact. energy: 2.711
local terms energy: -797.992876
where:
bonds (distance) C4'-P energy: -158.855
bonds (distance) P-C4' energy: -135.318
flat angles C4'-P-C4' energy: -167.547
flat angles P-C4'-P energy: -110.047
tors. eta vs tors. theta energy: -226.226
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: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -2423.391762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.391762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.391762 (E_RNA)
where:
Base-Base interactions energy: -1664.445
where: short stacking energy: -657.237
Base-Backbone interact. energy: 0.829
local terms energy: -759.776120
where:
bonds (distance) C4'-P energy: -132.669
bonds (distance) P-C4' energy: -147.706
flat angles C4'-P-C4' energy: -161.223
flat angles P-C4'-P energy: -101.358
tors. eta vs tors. theta energy: -216.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -2297.508345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.508345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.508345 (E_RNA)
where:
Base-Base interactions energy: -1555.150
where: short stacking energy: -662.839
Base-Backbone interact. energy: 0.544
local terms energy: -742.902948
where:
bonds (distance) C4'-P energy: -149.297
bonds (distance) P-C4' energy: -142.539
flat angles C4'-P-C4' energy: -155.604
flat angles P-C4'-P energy: -101.933
tors. eta vs tors. theta energy: -193.531
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: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -2116.545545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.545545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.545545 (E_RNA)
where:
Base-Base interactions energy: -1439.028
where: short stacking energy: -580.658
Base-Backbone interact. energy: 2.438
local terms energy: -679.955084
where:
bonds (distance) C4'-P energy: -138.536
bonds (distance) P-C4' energy: -143.894
flat angles C4'-P-C4' energy: -136.272
flat angles P-C4'-P energy: -94.291
tors. eta vs tors. theta energy: -166.962
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: 10
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1997.724878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.724878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.724878 (E_RNA)
where:
Base-Base interactions energy: -1334.174
where: short stacking energy: -569.491
Base-Backbone interact. energy: 0.526
local terms energy: -664.077292
where:
bonds (distance) C4'-P energy: -133.149
bonds (distance) P-C4' energy: -134.810
flat angles C4'-P-C4' energy: -139.307
flat angles P-C4'-P energy: -97.854
tors. eta vs tors. theta energy: -158.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1500.391584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.391584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.391584 (E_RNA)
where:
Base-Base interactions energy: -933.381
where: short stacking energy: -434.335
Base-Backbone interact. energy: -0.589
local terms energy: -566.421392
where:
bonds (distance) C4'-P energy: -128.341
bonds (distance) P-C4' energy: -130.421
flat angles C4'-P-C4' energy: -116.854
flat angles P-C4'-P energy: -83.519
tors. eta vs tors. theta energy: -107.286
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: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1076.930906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.930906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.930906 (E_RNA)
where:
Base-Base interactions energy: -576.846
where: short stacking energy: -262.879
Base-Backbone interact. energy: 2.530
local terms energy: -502.614588
where:
bonds (distance) C4'-P energy: -137.821
bonds (distance) P-C4' energy: -136.287
flat angles C4'-P-C4' energy: -112.312
flat angles P-C4'-P energy: -83.530
tors. eta vs tors. theta energy: -32.664
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: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1053.135966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.135966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.135966 (E_RNA)
where:
Base-Base interactions energy: -602.752
where: short stacking energy: -288.961
Base-Backbone interact. energy: -0.582
local terms energy: -449.802479
where:
bonds (distance) C4'-P energy: -136.605
bonds (distance) P-C4' energy: -104.087
flat angles C4'-P-C4' energy: -113.275
flat angles P-C4'-P energy: -61.890
tors. eta vs tors. theta energy: -33.945
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: 10, replica: 1
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -543.182723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.182723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.182723 (E_RNA)
where:
Base-Base interactions energy: -194.537
where: short stacking energy: -138.894
Base-Backbone interact. energy: 1.576
local terms energy: -350.222202
where:
bonds (distance) C4'-P energy: -101.832
bonds (distance) P-C4' energy: -124.160
flat angles C4'-P-C4' energy: -96.331
flat angles P-C4'-P energy: -44.433
tors. eta vs tors. theta energy: 16.533
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: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2674.517580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.517580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.517580 (E_RNA)
where:
Base-Base interactions energy: -1859.869
where: short stacking energy: -749.950
Base-Backbone interact. energy: -3.594
local terms energy: -811.054301
where:
bonds (distance) C4'-P energy: -144.256
bonds (distance) P-C4' energy: -159.178
flat angles C4'-P-C4' energy: -170.452
flat angles P-C4'-P energy: -112.500
tors. eta vs tors. theta energy: -224.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2568.956080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.956080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.956080 (E_RNA)
where:
Base-Base interactions energy: -1750.351
where: short stacking energy: -756.599
Base-Backbone interact. energy: -0.222
local terms energy: -818.383980
where:
bonds (distance) C4'-P energy: -156.689
bonds (distance) P-C4' energy: -142.547
flat angles C4'-P-C4' energy: -168.438
flat angles P-C4'-P energy: -113.763
tors. eta vs tors. theta energy: -236.948
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: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -2440.879012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.879012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.879012 (E_RNA)
where:
Base-Base interactions energy: -1681.273
where: short stacking energy: -682.403
Base-Backbone interact. energy: -1.977
local terms energy: -757.629520
where:
bonds (distance) C4'-P energy: -145.324
bonds (distance) P-C4' energy: -145.296
flat angles C4'-P-C4' energy: -148.133
flat angles P-C4'-P energy: -119.830
tors. eta vs tors. theta energy: -199.046
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: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -2281.843732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2281.843732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2281.843732 (E_RNA)
where:
Base-Base interactions energy: -1554.055
where: short stacking energy: -645.869
Base-Backbone interact. energy: -5.384
local terms energy: -722.404178
where:
bonds (distance) C4'-P energy: -134.956
bonds (distance) P-C4' energy: -146.146
flat angles C4'-P-C4' energy: -157.107
flat angles P-C4'-P energy: -91.840
tors. eta vs tors. theta energy: -192.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -2072.762895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.762895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.762895 (E_RNA)
where:
Base-Base interactions energy: -1394.650
where: short stacking energy: -562.985
Base-Backbone interact. energy: -3.220
local terms energy: -674.892816
where:
bonds (distance) C4'-P energy: -129.235
bonds (distance) P-C4' energy: -141.594
flat angles C4'-P-C4' energy: -141.722
flat angles P-C4'-P energy: -94.572
tors. eta vs tors. theta energy: -167.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1921.684752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.684752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.684752 (E_RNA)
where:
Base-Base interactions energy: -1285.628
where: short stacking energy: -568.305
Base-Backbone interact. energy: -2.627
local terms energy: -633.429584
where:
bonds (distance) C4'-P energy: -92.127
bonds (distance) P-C4' energy: -147.720
flat angles C4'-P-C4' energy: -160.886
flat angles P-C4'-P energy: -79.657
tors. eta vs tors. theta energy: -153.039
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: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1461.070824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.070824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.070824 (E_RNA)
where:
Base-Base interactions energy: -886.893
where: short stacking energy: -393.375
Base-Backbone interact. energy: -3.945
local terms energy: -570.232810
where:
bonds (distance) C4'-P energy: -126.126
bonds (distance) P-C4' energy: -115.375
flat angles C4'-P-C4' energy: -132.494
flat angles P-C4'-P energy: -101.455
tors. eta vs tors. theta energy: -94.783
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: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1165.162260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.162260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.162260 (E_RNA)
where:
Base-Base interactions energy: -725.611
where: short stacking energy: -335.265
Base-Backbone interact. energy: 6.012
local terms energy: -445.562734
where:
bonds (distance) C4'-P energy: -122.796
bonds (distance) P-C4' energy: -113.059
flat angles C4'-P-C4' energy: -105.413
flat angles P-C4'-P energy: -59.127
tors. eta vs tors. theta energy: -45.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1010.332697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.332697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.332697 (E_RNA)
where:
Base-Base interactions energy: -571.477
where: short stacking energy: -270.282
Base-Backbone interact. energy: 4.015
local terms energy: -442.871053
where:
bonds (distance) C4'-P energy: -112.693
bonds (distance) P-C4' energy: -113.250
flat angles C4'-P-C4' energy: -120.306
flat angles P-C4'-P energy: -68.592
tors. eta vs tors. theta energy: -28.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -560.055196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.055196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.055196 (E_RNA)
where:
Base-Base interactions energy: -196.984
where: short stacking energy: -110.956
Base-Backbone interact. energy: 0.567
local terms energy: -363.637451
where:
bonds (distance) C4'-P energy: -128.349
bonds (distance) P-C4' energy: -142.097
flat angles C4'-P-C4' energy: -97.642
flat angles P-C4'-P energy: -52.114
tors. eta vs tors. theta energy: 56.565
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: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2666.383221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.383221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.383221 (E_RNA)
where:
Base-Base interactions energy: -1841.138
where: short stacking energy: -757.758
Base-Backbone interact. energy: -4.899
local terms energy: -820.346963
where:
bonds (distance) C4'-P energy: -142.905
bonds (distance) P-C4' energy: -158.472
flat angles C4'-P-C4' energy: -163.359
flat angles P-C4'-P energy: -121.488
tors. eta vs tors. theta energy: -234.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2573.788549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.788549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.788549 (E_RNA)
where:
Base-Base interactions energy: -1753.803
where: short stacking energy: -767.175
Base-Backbone interact. energy: 1.455
local terms energy: -821.440009
where:
bonds (distance) C4'-P energy: -153.192
bonds (distance) P-C4' energy: -165.511
flat angles C4'-P-C4' energy: -168.596
flat angles P-C4'-P energy: -99.405
tors. eta vs tors. theta energy: -234.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -2452.085372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.085372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.085372 (E_RNA)
where:
Base-Base interactions energy: -1698.334
where: short stacking energy: -676.037
Base-Backbone interact. energy: -2.047
local terms energy: -751.704618
where:
bonds (distance) C4'-P energy: -152.141
bonds (distance) P-C4' energy: -131.985
flat angles C4'-P-C4' energy: -154.603
flat angles P-C4'-P energy: -108.851
tors. eta vs tors. theta energy: -204.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -2285.785095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.785095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.785095 (E_RNA)
where:
Base-Base interactions energy: -1527.145
where: short stacking energy: -645.404
Base-Backbone interact. energy: -4.465
local terms energy: -754.174757
where:
bonds (distance) C4'-P energy: -153.597
bonds (distance) P-C4' energy: -150.266
flat angles C4'-P-C4' energy: -154.914
flat angles P-C4'-P energy: -105.125
tors. eta vs tors. theta energy: -190.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -2099.040666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.040666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.040666 (E_RNA)
where:
Base-Base interactions energy: -1435.284
where: short stacking energy: -583.926
Base-Backbone interact. energy: -2.422
local terms energy: -661.334519
where:
bonds (distance) C4'-P energy: -139.855
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -151.221
flat angles P-C4'-P energy: -89.753
tors. eta vs tors. theta energy: -157.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1959.961828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.961828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.961828 (E_RNA)
where:
Base-Base interactions energy: -1293.406
where: short stacking energy: -567.538
Base-Backbone interact. energy: -1.531
local terms energy: -665.024584
where:
bonds (distance) C4'-P energy: -126.154
bonds (distance) P-C4' energy: -139.103
flat angles C4'-P-C4' energy: -147.352
flat angles P-C4'-P energy: -92.390
tors. eta vs tors. theta energy: -160.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1411.225402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.225402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.225402 (E_RNA)
where:
Base-Base interactions energy: -887.268
where: short stacking energy: -402.755
Base-Backbone interact. energy: -0.263
local terms energy: -523.693898
where:
bonds (distance) C4'-P energy: -113.725
bonds (distance) P-C4' energy: -131.002
flat angles C4'-P-C4' energy: -134.259
flat angles P-C4'-P energy: -76.024
tors. eta vs tors. theta energy: -68.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1241.111422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.111422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.111422 (E_RNA)
where:
Base-Base interactions energy: -734.704
where: short stacking energy: -337.233
Base-Backbone interact. energy: -2.507
local terms energy: -503.900484
where:
bonds (distance) C4'-P energy: -113.377
bonds (distance) P-C4' energy: -137.386
flat angles C4'-P-C4' energy: -133.766
flat angles P-C4'-P energy: -73.369
tors. eta vs tors. theta energy: -46.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -974.724085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.724085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.724085 (E_RNA)
where:
Base-Base interactions energy: -546.935
where: short stacking energy: -297.960
Base-Backbone interact. energy: 0.298
local terms energy: -428.086802
where:
bonds (distance) C4'-P energy: -88.377
bonds (distance) P-C4' energy: -135.022
flat angles C4'-P-C4' energy: -119.507
flat angles P-C4'-P energy: -54.959
tors. eta vs tors. theta energy: -30.222
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: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -589.214541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.214541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.214541 (E_RNA)
where:
Base-Base interactions energy: -194.058
where: short stacking energy: -145.527
Base-Backbone interact. energy: -0.851
local terms energy: -394.305693
where:
bonds (distance) C4'-P energy: -107.294
bonds (distance) P-C4' energy: -151.782
flat angles C4'-P-C4' energy: -97.554
flat angles P-C4'-P energy: -65.760
tors. eta vs tors. theta energy: 28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2680.380871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.380871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.380871 (E_RNA)
where:
Base-Base interactions energy: -1863.017
where: short stacking energy: -771.768
Base-Backbone interact. energy: -3.164
local terms energy: -814.199691
where:
bonds (distance) C4'-P energy: -147.001
bonds (distance) P-C4' energy: -168.563
flat angles C4'-P-C4' energy: -166.676
flat angles P-C4'-P energy: -104.026
tors. eta vs tors. theta energy: -227.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -2573.692006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.692006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.692006 (E_RNA)
where:
Base-Base interactions energy: -1775.930
where: short stacking energy: -755.603
Base-Backbone interact. energy: -3.002
local terms energy: -794.759962
where:
bonds (distance) C4'-P energy: -132.186
bonds (distance) P-C4' energy: -144.830
flat angles C4'-P-C4' energy: -176.057
flat angles P-C4'-P energy: -103.967
tors. eta vs tors. theta energy: -237.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -2402.158603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.158603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.158603 (E_RNA)
where:
Base-Base interactions energy: -1670.855
where: short stacking energy: -678.178
Base-Backbone interact. energy: 6.250
local terms energy: -737.552843
where:
bonds (distance) C4'-P energy: -146.732
bonds (distance) P-C4' energy: -143.964
flat angles C4'-P-C4' energy: -152.577
flat angles P-C4'-P energy: -98.313
tors. eta vs tors. theta energy: -195.967
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: 316
Temperature: 1.050000
Total energy: -2302.501324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.501324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.501324 (E_RNA)
where:
Base-Base interactions energy: -1590.092
where: short stacking energy: -676.664
Base-Backbone interact. energy: -3.756
local terms energy: -708.653109
where:
bonds (distance) C4'-P energy: -128.091
bonds (distance) P-C4' energy: -125.568
flat angles C4'-P-C4' energy: -161.034
flat angles P-C4'-P energy: -96.569
tors. eta vs tors. theta energy: -197.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -2150.022954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2150.022954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2150.022954 (E_RNA)
where:
Base-Base interactions energy: -1448.492
where: short stacking energy: -588.135
Base-Backbone interact. energy: -0.297
local terms energy: -701.234605
where:
bonds (distance) C4'-P energy: -137.078
bonds (distance) P-C4' energy: -127.689
flat angles C4'-P-C4' energy: -163.442
flat angles P-C4'-P energy: -107.025
tors. eta vs tors. theta energy: -166.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1975.379532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.379532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.379532 (E_RNA)
where:
Base-Base interactions energy: -1292.768
where: short stacking energy: -559.247
Base-Backbone interact. energy: 0.343
local terms energy: -682.954705
where:
bonds (distance) C4'-P energy: -134.291
bonds (distance) P-C4' energy: -134.500
flat angles C4'-P-C4' energy: -157.901
flat angles P-C4'-P energy: -98.566
tors. eta vs tors. theta energy: -157.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1387.403669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.403669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.403669 (E_RNA)
where:
Base-Base interactions energy: -823.262
where: short stacking energy: -377.052
Base-Backbone interact. energy: 4.883
local terms energy: -569.024808
where:
bonds (distance) C4'-P energy: -134.279
bonds (distance) P-C4' energy: -126.156
flat angles C4'-P-C4' energy: -136.939
flat angles P-C4'-P energy: -98.754
tors. eta vs tors. theta energy: -72.897
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: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1154.717586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.717586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.717586 (E_RNA)
where:
Base-Base interactions energy: -622.609
where: short stacking energy: -337.329
Base-Backbone interact. energy: -5.165
local terms energy: -526.944407
where:
bonds (distance) C4'-P energy: -138.200
bonds (distance) P-C4' energy: -132.078
flat angles C4'-P-C4' energy: -125.834
flat angles P-C4'-P energy: -81.625
tors. eta vs tors. theta energy: -49.208
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1062.233197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.233197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.233197 (E_RNA)
where:
Base-Base interactions energy: -597.121
where: short stacking energy: -291.255
Base-Backbone interact. energy: 0.447
local terms energy: -465.559007
where:
bonds (distance) C4'-P energy: -118.844
bonds (distance) P-C4' energy: -132.685
flat angles C4'-P-C4' energy: -99.404
flat angles P-C4'-P energy: -72.719
tors. eta vs tors. theta energy: -41.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -587.340155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.340155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.340155 (E_RNA)
where:
Base-Base interactions energy: -235.523
where: short stacking energy: -153.314
Base-Backbone interact. energy: 0.975
local terms energy: -352.792454
where:
bonds (distance) C4'-P energy: -103.625
bonds (distance) P-C4' energy: -114.503
flat angles C4'-P-C4' energy: -110.676
flat angles P-C4'-P energy: -47.899
tors. eta vs tors. theta energy: 23.910
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: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2681.675932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.675932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.675932 (E_RNA)
where:
Base-Base interactions energy: -1829.264
where: short stacking energy: -755.765
Base-Backbone interact. energy: -4.830
local terms energy: -847.581473
where:
bonds (distance) C4'-P energy: -155.497
bonds (distance) P-C4' energy: -158.820
flat angles C4'-P-C4' energy: -180.131
flat angles P-C4'-P energy: -117.410
tors. eta vs tors. theta energy: -235.723
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: 5
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2593.591723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.591723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.591723 (E_RNA)
where:
Base-Base interactions energy: -1765.076
where: short stacking energy: -743.961
Base-Backbone interact. energy: -1.402
local terms energy: -827.114056
where:
bonds (distance) C4'-P energy: -147.541
bonds (distance) P-C4' energy: -157.052
flat angles C4'-P-C4' energy: -160.101
flat angles P-C4'-P energy: -129.201
tors. eta vs tors. theta energy: -233.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -2396.367924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2396.367924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2396.367924 (E_RNA)
where:
Base-Base interactions energy: -1661.538
where: short stacking energy: -677.932
Base-Backbone interact. energy: -1.389
local terms energy: -733.440640
where:
bonds (distance) C4'-P energy: -130.769
bonds (distance) P-C4' energy: -134.222
flat angles C4'-P-C4' energy: -154.483
flat angles P-C4'-P energy: -115.286
tors. eta vs tors. theta energy: -198.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -2285.861029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.861029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.861029 (E_RNA)
where:
Base-Base interactions energy: -1540.038
where: short stacking energy: -665.824
Base-Backbone interact. energy: 2.671
local terms energy: -748.493969
where:
bonds (distance) C4'-P energy: -138.421
bonds (distance) P-C4' energy: -135.604
flat angles C4'-P-C4' energy: -171.821
flat angles P-C4'-P energy: -105.834
tors. eta vs tors. theta energy: -196.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -2132.832689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.832689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.832689 (E_RNA)
where:
Base-Base interactions energy: -1462.643
where: short stacking energy: -601.220
Base-Backbone interact. energy: -0.022
local terms energy: -670.167909
where:
bonds (distance) C4'-P energy: -135.282
bonds (distance) P-C4' energy: -142.084
flat angles C4'-P-C4' energy: -156.321
flat angles P-C4'-P energy: -82.135
tors. eta vs tors. theta energy: -154.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1975.847249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.847249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.847249 (E_RNA)
where:
Base-Base interactions energy: -1321.767
where: short stacking energy: -556.364
Base-Backbone interact. energy: -0.223
local terms energy: -653.857278
where:
bonds (distance) C4'-P energy: -124.714
bonds (distance) P-C4' energy: -130.013
flat angles C4'-P-C4' energy: -139.943
flat angles P-C4'-P energy: -92.326
tors. eta vs tors. theta energy: -166.860
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: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1488.615381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.615381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.615381 (E_RNA)
where:
Base-Base interactions energy: -930.223
where: short stacking energy: -436.324
Base-Backbone interact. energy: -1.699
local terms energy: -556.693982
where:
bonds (distance) C4'-P energy: -111.643
bonds (distance) P-C4' energy: -125.556
flat angles C4'-P-C4' energy: -139.173
flat angles P-C4'-P energy: -83.776
tors. eta vs tors. theta energy: -96.546
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: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1181.287774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.287774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.287774 (E_RNA)
where:
Base-Base interactions energy: -730.283
where: short stacking energy: -336.496
Base-Backbone interact. energy: 2.858
local terms energy: -453.862790
where:
bonds (distance) C4'-P energy: -118.194
bonds (distance) P-C4' energy: -117.602
flat angles C4'-P-C4' energy: -116.727
flat angles P-C4'-P energy: -68.623
tors. eta vs tors. theta energy: -32.716
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: 7
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1100.336127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.336127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.336127 (E_RNA)
where:
Base-Base interactions energy: -648.100
where: short stacking energy: -306.561
Base-Backbone interact. energy: -1.474
local terms energy: -450.762637
where:
bonds (distance) C4'-P energy: -137.997
bonds (distance) P-C4' energy: -130.773
flat angles C4'-P-C4' energy: -95.879
flat angles P-C4'-P energy: -65.739
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -597.211983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.211983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.211983 (E_RNA)
where:
Base-Base interactions energy: -250.761
where: short stacking energy: -167.967
Base-Backbone interact. energy: 1.768
local terms energy: -348.218615
where:
bonds (distance) C4'-P energy: -117.448
bonds (distance) P-C4' energy: -114.446
flat angles C4'-P-C4' energy: -117.764
flat angles P-C4'-P energy: -29.108
tors. eta vs tors. theta energy: 30.547
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: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2690.208463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.208463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.208463 (E_RNA)
where:
Base-Base interactions energy: -1877.734
where: short stacking energy: -765.643
Base-Backbone interact. energy: 0.118
local terms energy: -812.592634
where:
bonds (distance) C4'-P energy: -142.380
bonds (distance) P-C4' energy: -154.813
flat angles C4'-P-C4' energy: -175.057
flat angles P-C4'-P energy: -116.780
tors. eta vs tors. theta energy: -223.563
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: 5
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2597.966726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.966726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.966726 (E_RNA)
where:
Base-Base interactions energy: -1776.811
where: short stacking energy: -723.456
Base-Backbone interact. energy: -1.182
local terms energy: -819.973501
where:
bonds (distance) C4'-P energy: -151.162
bonds (distance) P-C4' energy: -153.092
flat angles C4'-P-C4' energy: -167.948
flat angles P-C4'-P energy: -110.868
tors. eta vs tors. theta energy: -236.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -2401.452806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2401.452806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2401.452806 (E_RNA)
where:
Base-Base interactions energy: -1672.298
where: short stacking energy: -681.044
Base-Backbone interact. energy: -2.129
local terms energy: -727.026251
where:
bonds (distance) C4'-P energy: -124.432
bonds (distance) P-C4' energy: -147.236
flat angles C4'-P-C4' energy: -151.579
flat angles P-C4'-P energy: -96.137
tors. eta vs tors. theta energy: -207.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -2289.444464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.444464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.444464 (E_RNA)
where:
Base-Base interactions energy: -1547.954
where: short stacking energy: -670.067
Base-Backbone interact. energy: -2.440
local terms energy: -739.051174
where:
bonds (distance) C4'-P energy: -142.071
bonds (distance) P-C4' energy: -130.092
flat angles C4'-P-C4' energy: -155.598
flat angles P-C4'-P energy: -105.088
tors. eta vs tors. theta energy: -206.202
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: 318
Temperature: 1.100000
Total energy: -2093.648239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.648239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.648239 (E_RNA)
where:
Base-Base interactions energy: -1429.080
where: short stacking energy: -575.656
Base-Backbone interact. energy: -4.152
local terms energy: -660.416528
where:
bonds (distance) C4'-P energy: -126.887
bonds (distance) P-C4' energy: -136.709
flat angles C4'-P-C4' energy: -154.050
flat angles P-C4'-P energy: -81.008
tors. eta vs tors. theta energy: -161.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1988.163842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.163842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.163842 (E_RNA)
where:
Base-Base interactions energy: -1358.541
where: short stacking energy: -563.735
Base-Backbone interact. energy: 0.031
local terms energy: -629.654013
where:
bonds (distance) C4'-P energy: -124.310
bonds (distance) P-C4' energy: -118.698
flat angles C4'-P-C4' energy: -145.197
flat angles P-C4'-P energy: -85.214
tors. eta vs tors. theta energy: -156.235
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: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1436.661090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.661090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.661090 (E_RNA)
where:
Base-Base interactions energy: -875.667
where: short stacking energy: -419.896
Base-Backbone interact. energy: -4.862
local terms energy: -556.132726
where:
bonds (distance) C4'-P energy: -122.597
bonds (distance) P-C4' energy: -120.394
flat angles C4'-P-C4' energy: -125.130
flat angles P-C4'-P energy: -102.359
tors. eta vs tors. theta energy: -85.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1145.777822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.777822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.777822 (E_RNA)
where:
Base-Base interactions energy: -651.095
where: short stacking energy: -321.823
Base-Backbone interact. energy: -4.887
local terms energy: -489.795197
where:
bonds (distance) C4'-P energy: -119.936
bonds (distance) P-C4' energy: -132.332
flat angles C4'-P-C4' energy: -133.078
flat angles P-C4'-P energy: -55.963
tors. eta vs tors. theta energy: -48.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1057.691722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.691722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.691722 (E_RNA)
where:
Base-Base interactions energy: -599.179
where: short stacking energy: -292.861
Base-Backbone interact. energy: 0.109
local terms energy: -458.621603
where:
bonds (distance) C4'-P energy: -118.445
bonds (distance) P-C4' energy: -123.473
flat angles C4'-P-C4' energy: -109.427
flat angles P-C4'-P energy: -70.057
tors. eta vs tors. theta energy: -37.220
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: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -532.042019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.042019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.042019 (E_RNA)
where:
Base-Base interactions energy: -183.624
where: short stacking energy: -151.000
Base-Backbone interact. energy: -3.084
local terms energy: -345.333471
where:
bonds (distance) C4'-P energy: -105.256
bonds (distance) P-C4' energy: -127.892
flat angles C4'-P-C4' energy: -85.332
flat angles P-C4'-P energy: -62.559
tors. eta vs tors. theta energy: 35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2683.353140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.353140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.353140 (E_RNA)
where:
Base-Base interactions energy: -1852.982
where: short stacking energy: -726.924
Base-Backbone interact. energy: 0.213
local terms energy: -830.584015
where:
bonds (distance) C4'-P energy: -151.283
bonds (distance) P-C4' energy: -163.574
flat angles C4'-P-C4' energy: -174.556
flat angles P-C4'-P energy: -109.159
tors. eta vs tors. theta energy: -232.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2601.343446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.343446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.343446 (E_RNA)
where:
Base-Base interactions energy: -1779.635
where: short stacking energy: -744.846
Base-Backbone interact. energy: -2.429
local terms energy: -819.278870
where:
bonds (distance) C4'-P energy: -149.190
bonds (distance) P-C4' energy: -137.565
flat angles C4'-P-C4' energy: -178.982
flat angles P-C4'-P energy: -108.718
tors. eta vs tors. theta energy: -244.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -2458.600872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2458.600872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2458.600872 (E_RNA)
where:
Base-Base interactions energy: -1723.878
where: short stacking energy: -704.474
Base-Backbone interact. energy: 1.674
local terms energy: -736.396753
where:
bonds (distance) C4'-P energy: -131.147
bonds (distance) P-C4' energy: -149.243
flat angles C4'-P-C4' energy: -157.952
flat angles P-C4'-P energy: -101.548
tors. eta vs tors. theta energy: -196.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -2305.712550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.712550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.712550 (E_RNA)
where:
Base-Base interactions energy: -1556.521
where: short stacking energy: -663.569
Base-Backbone interact. energy: -2.314
local terms energy: -746.877817
where:
bonds (distance) C4'-P energy: -139.142
bonds (distance) P-C4' energy: -157.489
flat angles C4'-P-C4' energy: -164.780
flat angles P-C4'-P energy: -98.463
tors. eta vs tors. theta energy: -187.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -2075.986317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.986317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.986317 (E_RNA)
where:
Base-Base interactions energy: -1453.412
where: short stacking energy: -597.620
Base-Backbone interact. energy: 3.431
local terms energy: -626.005349
where:
bonds (distance) C4'-P energy: -128.438
bonds (distance) P-C4' energy: -107.562
flat angles C4'-P-C4' energy: -140.635
flat angles P-C4'-P energy: -90.863
tors. eta vs tors. theta energy: -158.507
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: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1989.380892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.380892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.380892 (E_RNA)
where:
Base-Base interactions energy: -1337.294
where: short stacking energy: -567.204
Base-Backbone interact. energy: 1.673
local terms energy: -653.760516
where:
bonds (distance) C4'-P energy: -130.111
bonds (distance) P-C4' energy: -137.248
flat angles C4'-P-C4' energy: -153.791
flat angles P-C4'-P energy: -80.347
tors. eta vs tors. theta energy: -152.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1481.089201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.089201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.089201 (E_RNA)
where:
Base-Base interactions energy: -916.977
where: short stacking energy: -406.428
Base-Backbone interact. energy: 1.603
local terms energy: -565.715395
where:
bonds (distance) C4'-P energy: -120.315
bonds (distance) P-C4' energy: -137.633
flat angles C4'-P-C4' energy: -135.907
flat angles P-C4'-P energy: -90.993
tors. eta vs tors. theta energy: -80.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1133.302949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.302949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.302949 (E_RNA)
where:
Base-Base interactions energy: -648.288
where: short stacking energy: -303.388
Base-Backbone interact. energy: -1.844
local terms energy: -483.170693
where:
bonds (distance) C4'-P energy: -125.509
bonds (distance) P-C4' energy: -126.018
flat angles C4'-P-C4' energy: -129.665
flat angles P-C4'-P energy: -66.091
tors. eta vs tors. theta energy: -35.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1005.890311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.890311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.890311 (E_RNA)
where:
Base-Base interactions energy: -571.429
where: short stacking energy: -270.823
Base-Backbone interact. energy: -2.565
local terms energy: -431.896780
where:
bonds (distance) C4'-P energy: -114.905
bonds (distance) P-C4' energy: -104.504
flat angles C4'-P-C4' energy: -103.704
flat angles P-C4'-P energy: -75.230
tors. eta vs tors. theta energy: -33.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -551.376786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.376786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.376786 (E_RNA)
where:
Base-Base interactions energy: -214.411
where: short stacking energy: -148.540
Base-Backbone interact. energy: 2.840
local terms energy: -339.806361
where:
bonds (distance) C4'-P energy: -114.631
bonds (distance) P-C4' energy: -129.475
flat angles C4'-P-C4' energy: -103.665
flat angles P-C4'-P energy: -39.672
tors. eta vs tors. theta energy: 47.636
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2684.048218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.048218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.048218 (E_RNA)
where:
Base-Base interactions energy: -1857.120
where: short stacking energy: -765.853
Base-Backbone interact. energy: -6.476
local terms energy: -820.452443
where:
bonds (distance) C4'-P energy: -143.701
bonds (distance) P-C4' energy: -151.028
flat angles C4'-P-C4' energy: -166.018
flat angles P-C4'-P energy: -122.937
tors. eta vs tors. theta energy: -236.768
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: 320
Temperature: 0.950000
Total energy: -2608.109933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.109933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.109933 (E_RNA)
where:
Base-Base interactions energy: -1800.332
where: short stacking energy: -768.772
Base-Backbone interact. energy: -0.785
local terms energy: -806.993203
where:
bonds (distance) C4'-P energy: -149.511
bonds (distance) P-C4' energy: -146.008
flat angles C4'-P-C4' energy: -166.929
flat angles P-C4'-P energy: -105.664
tors. eta vs tors. theta energy: -238.881
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -2464.405729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.405729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.405729 (E_RNA)
where:
Base-Base interactions energy: -1741.312
where: short stacking energy: -700.297
Base-Backbone interact. energy: -3.973
local terms energy: -719.121431
where:
bonds (distance) C4'-P energy: -128.802
bonds (distance) P-C4' energy: -129.333
flat angles C4'-P-C4' energy: -155.875
flat angles P-C4'-P energy: -94.765
tors. eta vs tors. theta energy: -210.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -2298.162668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.162668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.162668 (E_RNA)
where:
Base-Base interactions energy: -1579.890
where: short stacking energy: -668.131
Base-Backbone interact. energy: -3.306
local terms energy: -714.966601
where:
bonds (distance) C4'-P energy: -130.478
bonds (distance) P-C4' energy: -151.285
flat angles C4'-P-C4' energy: -144.669
flat angles P-C4'-P energy: -98.306
tors. eta vs tors. theta energy: -190.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -2093.290163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.290163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.290163 (E_RNA)
where:
Base-Base interactions energy: -1414.283
where: short stacking energy: -565.565
Base-Backbone interact. energy: -4.046
local terms energy: -674.960862
where:
bonds (distance) C4'-P energy: -135.498
bonds (distance) P-C4' energy: -127.985
flat angles C4'-P-C4' energy: -150.789
flat angles P-C4'-P energy: -94.984
tors. eta vs tors. theta energy: -165.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1946.639632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.639632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.639632 (E_RNA)
where:
Base-Base interactions energy: -1285.309
where: short stacking energy: -544.718
Base-Backbone interact. energy: -1.620
local terms energy: -659.710643
where:
bonds (distance) C4'-P energy: -141.080
bonds (distance) P-C4' energy: -121.268
flat angles C4'-P-C4' energy: -149.279
flat angles P-C4'-P energy: -97.621
tors. eta vs tors. theta energy: -150.463
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: 6
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1478.760010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.760010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.760010 (E_RNA)
where:
Base-Base interactions energy: -909.532
where: short stacking energy: -393.497
Base-Backbone interact. energy: -1.434
local terms energy: -567.794752
where:
bonds (distance) C4'-P energy: -133.837
bonds (distance) P-C4' energy: -138.086
flat angles C4'-P-C4' energy: -128.972
flat angles P-C4'-P energy: -85.667
tors. eta vs tors. theta energy: -81.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1129.625883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.625883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.625883 (E_RNA)
where:
Base-Base interactions energy: -637.863
where: short stacking energy: -314.497
Base-Backbone interact. energy: 0.348
local terms energy: -492.110671
where:
bonds (distance) C4'-P energy: -129.381
bonds (distance) P-C4' energy: -140.573
flat angles C4'-P-C4' energy: -104.892
flat angles P-C4'-P energy: -79.682
tors. eta vs tors. theta energy: -37.583
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: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1058.854710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.854710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.854710 (E_RNA)
where:
Base-Base interactions energy: -599.001
where: short stacking energy: -266.751
Base-Backbone interact. energy: -4.067
local terms energy: -455.786689
where:
bonds (distance) C4'-P energy: -119.822
bonds (distance) P-C4' energy: -133.953
flat angles C4'-P-C4' energy: -124.591
flat angles P-C4'-P energy: -59.239
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -547.622665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.622665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.622665 (E_RNA)
where:
Base-Base interactions energy: -162.138
where: short stacking energy: -136.481
Base-Backbone interact. energy: 5.880
local terms energy: -391.364839
where:
bonds (distance) C4'-P energy: -133.264
bonds (distance) P-C4' energy: -122.840
flat angles C4'-P-C4' energy: -113.728
flat angles P-C4'-P energy: -60.421
tors. eta vs tors. theta energy: 38.888
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2677.273753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.273753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.273753 (E_RNA)
where:
Base-Base interactions energy: -1842.228
where: short stacking energy: -772.640
Base-Backbone interact. energy: -3.735
local terms energy: -831.310981
where:
bonds (distance) C4'-P energy: -148.500
bonds (distance) P-C4' energy: -157.609
flat angles C4'-P-C4' energy: -172.569
flat angles P-C4'-P energy: -120.214
tors. eta vs tors. theta energy: -232.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2581.783013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.783013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.783013 (E_RNA)
where:
Base-Base interactions energy: -1775.672
where: short stacking energy: -753.383
Base-Backbone interact. energy: -2.077
local terms energy: -804.033304
where:
bonds (distance) C4'-P energy: -134.337
bonds (distance) P-C4' energy: -154.295
flat angles C4'-P-C4' energy: -172.756
flat angles P-C4'-P energy: -111.830
tors. eta vs tors. theta energy: -230.815
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -2459.105360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.105360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.105360 (E_RNA)
where:
Base-Base interactions energy: -1710.837
where: short stacking energy: -695.771
Base-Backbone interact. energy: -0.279
local terms energy: -747.989368
where:
bonds (distance) C4'-P energy: -129.815
bonds (distance) P-C4' energy: -143.404
flat angles C4'-P-C4' energy: -156.480
flat angles P-C4'-P energy: -105.497
tors. eta vs tors. theta energy: -212.793
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: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -2327.177105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.177105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.177105 (E_RNA)
where:
Base-Base interactions energy: -1594.971
where: short stacking energy: -692.290
Base-Backbone interact. energy: 2.414
local terms energy: -734.620285
where:
bonds (distance) C4'-P energy: -128.856
bonds (distance) P-C4' energy: -136.895
flat angles C4'-P-C4' energy: -166.942
flat angles P-C4'-P energy: -100.079
tors. eta vs tors. theta energy: -201.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -2088.597267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.597267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.597267 (E_RNA)
where:
Base-Base interactions energy: -1401.895
where: short stacking energy: -559.337
Base-Backbone interact. energy: -1.178
local terms energy: -685.523623
where:
bonds (distance) C4'-P energy: -133.958
bonds (distance) P-C4' energy: -136.850
flat angles C4'-P-C4' energy: -157.045
flat angles P-C4'-P energy: -93.603
tors. eta vs tors. theta energy: -164.068
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: 6, replica: 10
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1974.372657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.372657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.372657 (E_RNA)
where:
Base-Base interactions energy: -1314.165
where: short stacking energy: -568.730
Base-Backbone interact. energy: -1.665
local terms energy: -658.541963
where:
bonds (distance) C4'-P energy: -133.542
bonds (distance) P-C4' energy: -137.125
flat angles C4'-P-C4' energy: -146.741
flat angles P-C4'-P energy: -77.089
tors. eta vs tors. theta energy: -164.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1521.694084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.694084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.694084 (E_RNA)
where:
Base-Base interactions energy: -935.607
where: short stacking energy: -427.115
Base-Backbone interact. energy: -2.290
local terms energy: -583.797849
where:
bonds (distance) C4'-P energy: -126.691
bonds (distance) P-C4' energy: -133.536
flat angles C4'-P-C4' energy: -128.381
flat angles P-C4'-P energy: -79.041
tors. eta vs tors. theta energy: -116.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1206.780268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.780268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.780268 (E_RNA)
where:
Base-Base interactions energy: -727.905
where: short stacking energy: -329.245
Base-Backbone interact. energy: 0.421
local terms energy: -479.296550
where:
bonds (distance) C4'-P energy: -101.593
bonds (distance) P-C4' energy: -134.429
flat angles C4'-P-C4' energy: -134.385
flat angles P-C4'-P energy: -62.460
tors. eta vs tors. theta energy: -46.428
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: 9, replica: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1099.270396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.270396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.270396 (E_RNA)
where:
Base-Base interactions energy: -576.736
where: short stacking energy: -282.350
Base-Backbone interact. energy: -4.571
local terms energy: -517.963498
where:
bonds (distance) C4'-P energy: -135.818
bonds (distance) P-C4' energy: -128.131
flat angles C4'-P-C4' energy: -130.958
flat angles P-C4'-P energy: -88.034
tors. eta vs tors. theta energy: -35.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -554.888207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.888207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.888207 (E_RNA)
where:
Base-Base interactions energy: -183.724
where: short stacking energy: -158.876
Base-Backbone interact. energy: 2.665
local terms energy: -373.828870
where:
bonds (distance) C4'-P energy: -118.504
bonds (distance) P-C4' energy: -124.119
flat angles C4'-P-C4' energy: -97.261
flat angles P-C4'-P energy: -61.193
tors. eta vs tors. theta energy: 27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2654.047379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.047379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.047379 (E_RNA)
where:
Base-Base interactions energy: -1845.929
where: short stacking energy: -755.414
Base-Backbone interact. energy: -2.288
local terms energy: -805.829755
where:
bonds (distance) C4'-P energy: -145.896
bonds (distance) P-C4' energy: -147.258
flat angles C4'-P-C4' energy: -161.070
flat angles P-C4'-P energy: -113.484
tors. eta vs tors. theta energy: -238.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -2571.167929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.167929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.167929 (E_RNA)
where:
Base-Base interactions energy: -1766.004
where: short stacking energy: -756.993
Base-Backbone interact. energy: 0.035
local terms energy: -805.198769
where:
bonds (distance) C4'-P energy: -139.926
bonds (distance) P-C4' energy: -135.026
flat angles C4'-P-C4' energy: -180.218
flat angles P-C4'-P energy: -117.920
tors. eta vs tors. theta energy: -232.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -2477.659495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2477.659495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2477.659495 (E_RNA)
where:
Base-Base interactions energy: -1719.675
where: short stacking energy: -691.119
Base-Backbone interact. energy: -3.234
local terms energy: -754.751190
where:
bonds (distance) C4'-P energy: -141.442
bonds (distance) P-C4' energy: -149.785
flat angles C4'-P-C4' energy: -161.468
flat angles P-C4'-P energy: -101.294
tors. eta vs tors. theta energy: -200.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -2328.711872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.711872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.711872 (E_RNA)
where:
Base-Base interactions energy: -1589.403
where: short stacking energy: -664.034
Base-Backbone interact. energy: -1.187
local terms energy: -738.121831
where:
bonds (distance) C4'-P energy: -144.702
bonds (distance) P-C4' energy: -128.992
flat angles C4'-P-C4' energy: -170.483
flat angles P-C4'-P energy: -99.423
tors. eta vs tors. theta energy: -194.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -2110.508729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.508729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.508729 (E_RNA)
where:
Base-Base interactions energy: -1422.235
where: short stacking energy: -604.029
Base-Backbone interact. energy: -2.828
local terms energy: -685.446011
where:
bonds (distance) C4'-P energy: -131.639
bonds (distance) P-C4' energy: -139.116
flat angles C4'-P-C4' energy: -152.995
flat angles P-C4'-P energy: -84.780
tors. eta vs tors. theta energy: -176.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1919.379792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.379792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.379792 (E_RNA)
where:
Base-Base interactions energy: -1274.637
where: short stacking energy: -520.810
Base-Backbone interact. energy: -1.296
local terms energy: -643.446370
where:
bonds (distance) C4'-P energy: -133.863
bonds (distance) P-C4' energy: -127.536
flat angles C4'-P-C4' energy: -141.857
flat angles P-C4'-P energy: -95.307
tors. eta vs tors. theta energy: -144.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1509.844755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.844755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.844755 (E_RNA)
where:
Base-Base interactions energy: -932.949
where: short stacking energy: -464.359
Base-Backbone interact. energy: -3.915
local terms energy: -572.980229
where:
bonds (distance) C4'-P energy: -111.255
bonds (distance) P-C4' energy: -142.836
flat angles C4'-P-C4' energy: -145.768
flat angles P-C4'-P energy: -79.614
tors. eta vs tors. theta energy: -93.508
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: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1182.751364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.751364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.751364 (E_RNA)
where:
Base-Base interactions energy: -685.615
where: short stacking energy: -320.786
Base-Backbone interact. energy: 3.361
local terms energy: -500.496983
where:
bonds (distance) C4'-P energy: -121.131
bonds (distance) P-C4' energy: -145.474
flat angles C4'-P-C4' energy: -139.677
flat angles P-C4'-P energy: -56.534
tors. eta vs tors. theta energy: -37.681
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: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1073.247284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.247284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.247284 (E_RNA)
where:
Base-Base interactions energy: -610.024
where: short stacking energy: -284.825
Base-Backbone interact. energy: -2.006
local terms energy: -461.216705
where:
bonds (distance) C4'-P energy: -127.343
bonds (distance) P-C4' energy: -123.458
flat angles C4'-P-C4' energy: -103.459
flat angles P-C4'-P energy: -58.453
tors. eta vs tors. theta energy: -48.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -587.793563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.793563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.793563 (E_RNA)
where:
Base-Base interactions energy: -200.060
where: short stacking energy: -187.031
Base-Backbone interact. energy: 5.419
local terms energy: -393.152595
where:
bonds (distance) C4'-P energy: -100.979
bonds (distance) P-C4' energy: -126.194
flat angles C4'-P-C4' energy: -126.184
flat angles P-C4'-P energy: -51.787
tors. eta vs tors. theta energy: 11.992
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: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -2701.805765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.805765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.805765 (E_RNA)
where:
Base-Base interactions energy: -1873.101
where: short stacking energy: -797.173
Base-Backbone interact. energy: -3.789
local terms energy: -824.915635
where:
bonds (distance) C4'-P energy: -151.322
bonds (distance) P-C4' energy: -142.263
flat angles C4'-P-C4' energy: -177.436
flat angles P-C4'-P energy: -112.911
tors. eta vs tors. theta energy: -240.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -2608.284778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.284778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.284778 (E_RNA)
where:
Base-Base interactions energy: -1795.557
where: short stacking energy: -765.402
Base-Backbone interact. energy: -2.362
local terms energy: -810.365663
where:
bonds (distance) C4'-P energy: -132.668
bonds (distance) P-C4' energy: -143.328
flat angles C4'-P-C4' energy: -185.168
flat angles P-C4'-P energy: -109.382
tors. eta vs tors. theta energy: -239.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -2448.978900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.978900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.978900 (E_RNA)
where:
Base-Base interactions energy: -1697.394
where: short stacking energy: -687.901
Base-Backbone interact. energy: 0.168
local terms energy: -751.753642
where:
bonds (distance) C4'-P energy: -141.202
bonds (distance) P-C4' energy: -149.126
flat angles C4'-P-C4' energy: -162.327
flat angles P-C4'-P energy: -94.123
tors. eta vs tors. theta energy: -204.975
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: 3
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -2325.926760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.926760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.926760 (E_RNA)
where:
Base-Base interactions energy: -1589.759
where: short stacking energy: -668.701
Base-Backbone interact. energy: -4.507
local terms energy: -731.660266
where:
bonds (distance) C4'-P energy: -142.332
bonds (distance) P-C4' energy: -140.468
flat angles C4'-P-C4' energy: -163.713
flat angles P-C4'-P energy: -93.135
tors. eta vs tors. theta energy: -192.012
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: 323
Temperature: 1.100000
Total energy: -2093.666717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.666717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.666717 (E_RNA)
where:
Base-Base interactions energy: -1408.937
where: short stacking energy: -554.400
Base-Backbone interact. energy: -2.906
local terms energy: -681.823984
where:
bonds (distance) C4'-P energy: -128.096
bonds (distance) P-C4' energy: -137.443
flat angles C4'-P-C4' energy: -164.324
flat angles P-C4'-P energy: -93.285
tors. eta vs tors. theta energy: -158.675
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: 6, replica: 10
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -2015.472478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.472478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.472478 (E_RNA)
where:
Base-Base interactions energy: -1323.527
where: short stacking energy: -593.281
Base-Backbone interact. energy: -0.167
local terms energy: -691.779225
where:
bonds (distance) C4'-P energy: -130.129
bonds (distance) P-C4' energy: -136.844
flat angles C4'-P-C4' energy: -154.071
flat angles P-C4'-P energy: -95.096
tors. eta vs tors. theta energy: -175.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1469.206796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.206796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.206796 (E_RNA)
where:
Base-Base interactions energy: -907.264
where: short stacking energy: -424.222
Base-Backbone interact. energy: -3.126
local terms energy: -558.816597
where:
bonds (distance) C4'-P energy: -115.264
bonds (distance) P-C4' energy: -134.572
flat angles C4'-P-C4' energy: -125.444
flat angles P-C4'-P energy: -96.115
tors. eta vs tors. theta energy: -87.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1205.798777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.798777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.798777 (E_RNA)
where:
Base-Base interactions energy: -719.279
where: short stacking energy: -376.375
Base-Backbone interact. energy: 0.960
local terms energy: -487.479157
where:
bonds (distance) C4'-P energy: -103.411
bonds (distance) P-C4' energy: -120.549
flat angles C4'-P-C4' energy: -127.966
flat angles P-C4'-P energy: -71.409
tors. eta vs tors. theta energy: -64.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1079.026779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.026779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.026779 (E_RNA)
where:
Base-Base interactions energy: -600.963
where: short stacking energy: -301.581
Base-Backbone interact. energy: 1.839
local terms energy: -479.902365
where:
bonds (distance) C4'-P energy: -120.164
bonds (distance) P-C4' energy: -122.142
flat angles C4'-P-C4' energy: -131.812
flat angles P-C4'-P energy: -73.996
tors. eta vs tors. theta energy: -31.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -530.532909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.532909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.532909 (E_RNA)
where:
Base-Base interactions energy: -181.166
where: short stacking energy: -156.197
Base-Backbone interact. energy: 2.990
local terms energy: -352.356839
where:
bonds (distance) C4'-P energy: -102.069
bonds (distance) P-C4' energy: -124.070
flat angles C4'-P-C4' energy: -118.933
flat angles P-C4'-P energy: -58.317
tors. eta vs tors. theta energy: 51.031
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2703.273669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.273669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.273669 (E_RNA)
where:
Base-Base interactions energy: -1857.158
where: short stacking energy: -784.758
Base-Backbone interact. energy: -4.582
local terms energy: -841.533807
where:
bonds (distance) C4'-P energy: -155.916
bonds (distance) P-C4' energy: -150.489
flat angles C4'-P-C4' energy: -170.066
flat angles P-C4'-P energy: -131.367
tors. eta vs tors. theta energy: -233.695
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: 324
Temperature: 0.950000
Total energy: -2591.632384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.632384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.632384 (E_RNA)
where:
Base-Base interactions energy: -1773.451
where: short stacking energy: -730.689
Base-Backbone interact. energy: -3.573
local terms energy: -814.608493
where:
bonds (distance) C4'-P energy: -129.518
bonds (distance) P-C4' energy: -155.294
flat angles C4'-P-C4' energy: -170.173
flat angles P-C4'-P energy: -125.803
tors. eta vs tors. theta energy: -233.821
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: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -2468.379530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2468.379530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2468.379530 (E_RNA)
where:
Base-Base interactions energy: -1696.018
where: short stacking energy: -697.379
Base-Backbone interact. energy: -6.651
local terms energy: -765.710124
where:
bonds (distance) C4'-P energy: -140.619
bonds (distance) P-C4' energy: -148.208
flat angles C4'-P-C4' energy: -154.762
flat angles P-C4'-P energy: -102.680
tors. eta vs tors. theta energy: -219.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -2302.352189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.352189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.352189 (E_RNA)
where:
Base-Base interactions energy: -1571.962
where: short stacking energy: -669.373
Base-Backbone interact. energy: -0.716
local terms energy: -729.673790
where:
bonds (distance) C4'-P energy: -127.588
bonds (distance) P-C4' energy: -138.914
flat angles C4'-P-C4' energy: -152.104
flat angles P-C4'-P energy: -107.097
tors. eta vs tors. theta energy: -203.971
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: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -2108.382636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.382636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.382636 (E_RNA)
where:
Base-Base interactions energy: -1389.980
where: short stacking energy: -599.226
Base-Backbone interact. energy: -3.966
local terms energy: -714.436825
where:
bonds (distance) C4'-P energy: -126.238
bonds (distance) P-C4' energy: -149.198
flat angles C4'-P-C4' energy: -151.804
flat angles P-C4'-P energy: -107.517
tors. eta vs tors. theta energy: -179.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1949.249729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.249729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.249729 (E_RNA)
where:
Base-Base interactions energy: -1302.911
where: short stacking energy: -554.193
Base-Backbone interact. energy: 0.333
local terms energy: -646.671363
where:
bonds (distance) C4'-P energy: -123.088
bonds (distance) P-C4' energy: -146.079
flat angles C4'-P-C4' energy: -157.399
flat angles P-C4'-P energy: -73.496
tors. eta vs tors. theta energy: -146.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1453.596154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.596154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.596154 (E_RNA)
where:
Base-Base interactions energy: -900.039
where: short stacking energy: -403.325
Base-Backbone interact. energy: -4.665
local terms energy: -548.892809
where:
bonds (distance) C4'-P energy: -106.605
bonds (distance) P-C4' energy: -129.686
flat angles C4'-P-C4' energy: -152.614
flat angles P-C4'-P energy: -85.214
tors. eta vs tors. theta energy: -74.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1173.655502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.655502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.655502 (E_RNA)
where:
Base-Base interactions energy: -688.395
where: short stacking energy: -350.671
Base-Backbone interact. energy: -2.974
local terms energy: -482.285700
where:
bonds (distance) C4'-P energy: -116.895
bonds (distance) P-C4' energy: -134.655
flat angles C4'-P-C4' energy: -112.611
flat angles P-C4'-P energy: -69.931
tors. eta vs tors. theta energy: -48.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1029.745046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.745046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.745046 (E_RNA)
where:
Base-Base interactions energy: -591.446
where: short stacking energy: -288.570
Base-Backbone interact. energy: 1.727
local terms energy: -440.026420
where:
bonds (distance) C4'-P energy: -89.793
bonds (distance) P-C4' energy: -127.440
flat angles C4'-P-C4' energy: -115.926
flat angles P-C4'-P energy: -73.515
tors. eta vs tors. theta energy: -33.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -556.706831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.706831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.706831 (E_RNA)
where:
Base-Base interactions energy: -158.660
where: short stacking energy: -123.299
Base-Backbone interact. energy: -0.175
local terms energy: -397.871510
where:
bonds (distance) C4'-P energy: -144.321
bonds (distance) P-C4' energy: -155.913
flat angles C4'-P-C4' energy: -85.495
flat angles P-C4'-P energy: -61.873
tors. eta vs tors. theta energy: 49.731
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: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2728.384073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2728.384073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2728.384073 (E_RNA)
where:
Base-Base interactions energy: -1890.774
where: short stacking energy: -802.243
Base-Backbone interact. energy: -6.318
local terms energy: -831.292102
where:
bonds (distance) C4'-P energy: -151.608
bonds (distance) P-C4' energy: -153.852
flat angles C4'-P-C4' energy: -178.299
flat angles P-C4'-P energy: -110.151
tors. eta vs tors. theta energy: -237.382
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: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -2605.719843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.719843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.719843 (E_RNA)
where:
Base-Base interactions energy: -1818.654
where: short stacking energy: -750.531
Base-Backbone interact. energy: -1.808
local terms energy: -785.257131
where:
bonds (distance) C4'-P energy: -133.022
bonds (distance) P-C4' energy: -129.684
flat angles C4'-P-C4' energy: -170.816
flat angles P-C4'-P energy: -118.766
tors. eta vs tors. theta energy: -232.969
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -2489.364914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.364914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.364914 (E_RNA)
where:
Base-Base interactions energy: -1748.179
where: short stacking energy: -698.929
Base-Backbone interact. energy: -5.092
local terms energy: -736.092993
where:
bonds (distance) C4'-P energy: -148.815
bonds (distance) P-C4' energy: -123.081
flat angles C4'-P-C4' energy: -147.870
flat angles P-C4'-P energy: -97.701
tors. eta vs tors. theta energy: -218.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -2220.760557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.760557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.760557 (E_RNA)
where:
Base-Base interactions energy: -1521.538
where: short stacking energy: -611.573
Base-Backbone interact. energy: 1.596
local terms energy: -700.818786
where:
bonds (distance) C4'-P energy: -127.237
bonds (distance) P-C4' energy: -138.691
flat angles C4'-P-C4' energy: -151.494
flat angles P-C4'-P energy: -105.163
tors. eta vs tors. theta energy: -178.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -2119.245919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.245919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.245919 (E_RNA)
where:
Base-Base interactions energy: -1439.175
where: short stacking energy: -615.765
Base-Backbone interact. energy: -1.589
local terms energy: -678.482414
where:
bonds (distance) C4'-P energy: -130.492
bonds (distance) P-C4' energy: -125.719
flat angles C4'-P-C4' energy: -148.960
flat angles P-C4'-P energy: -89.592
tors. eta vs tors. theta energy: -183.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1990.046626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.046626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.046626 (E_RNA)
where:
Base-Base interactions energy: -1336.381
where: short stacking energy: -591.510
Base-Backbone interact. energy: -2.656
local terms energy: -651.009490
where:
bonds (distance) C4'-P energy: -131.133
bonds (distance) P-C4' energy: -129.810
flat angles C4'-P-C4' energy: -141.509
flat angles P-C4'-P energy: -91.735
tors. eta vs tors. theta energy: -156.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1492.959282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.959282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.959282 (E_RNA)
where:
Base-Base interactions energy: -970.389
where: short stacking energy: -418.959
Base-Backbone interact. energy: -0.251
local terms energy: -522.319244
where:
bonds (distance) C4'-P energy: -89.102
bonds (distance) P-C4' energy: -146.570
flat angles C4'-P-C4' energy: -121.830
flat angles P-C4'-P energy: -79.291
tors. eta vs tors. theta energy: -85.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1178.429996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.429996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.429996 (E_RNA)
where:
Base-Base interactions energy: -676.056
where: short stacking energy: -338.695
Base-Backbone interact. energy: -2.149
local terms energy: -500.224877
where:
bonds (distance) C4'-P energy: -130.762
bonds (distance) P-C4' energy: -117.862
flat angles C4'-P-C4' energy: -127.844
flat angles P-C4'-P energy: -74.353
tors. eta vs tors. theta energy: -49.404
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: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -989.191758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.191758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.191758 (E_RNA)
where:
Base-Base interactions energy: -534.247
where: short stacking energy: -232.985
Base-Backbone interact. energy: -0.758
local terms energy: -454.187257
where:
bonds (distance) C4'-P energy: -123.192
bonds (distance) P-C4' energy: -130.455
flat angles C4'-P-C4' energy: -117.100
flat angles P-C4'-P energy: -59.344
tors. eta vs tors. theta energy: -24.096
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: 1
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -582.040375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.040375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.040375 (E_RNA)
where:
Base-Base interactions energy: -214.014
where: short stacking energy: -162.193
Base-Backbone interact. energy: 0.692
local terms energy: -368.718983
where:
bonds (distance) C4'-P energy: -117.217
bonds (distance) P-C4' energy: -115.707
flat angles C4'-P-C4' energy: -104.455
flat angles P-C4'-P energy: -58.733
tors. eta vs tors. theta energy: 27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2696.437794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.437794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.437794 (E_RNA)
where:
Base-Base interactions energy: -1875.481
where: short stacking energy: -777.168
Base-Backbone interact. energy: -2.150
local terms energy: -818.806792
where:
bonds (distance) C4'-P energy: -144.236
bonds (distance) P-C4' energy: -149.287
flat angles C4'-P-C4' energy: -179.283
flat angles P-C4'-P energy: -109.857
tors. eta vs tors. theta energy: -236.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -2592.906256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.906256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.906256 (E_RNA)
where:
Base-Base interactions energy: -1787.345
where: short stacking energy: -752.430
Base-Backbone interact. energy: 3.534
local terms energy: -809.096095
where:
bonds (distance) C4'-P energy: -126.710
bonds (distance) P-C4' energy: -151.899
flat angles C4'-P-C4' energy: -173.870
flat angles P-C4'-P energy: -121.300
tors. eta vs tors. theta energy: -235.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -2459.549980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.549980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.549980 (E_RNA)
where:
Base-Base interactions energy: -1738.981
where: short stacking energy: -706.417
Base-Backbone interact. energy: -3.514
local terms energy: -717.055068
where:
bonds (distance) C4'-P energy: -143.975
bonds (distance) P-C4' energy: -128.838
flat angles C4'-P-C4' energy: -162.561
flat angles P-C4'-P energy: -83.772
tors. eta vs tors. theta energy: -197.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -2307.956384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.956384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.956384 (E_RNA)
where:
Base-Base interactions energy: -1597.229
where: short stacking energy: -640.291
Base-Backbone interact. energy: -4.161
local terms energy: -706.566147
where:
bonds (distance) C4'-P energy: -144.022
bonds (distance) P-C4' energy: -131.775
flat angles C4'-P-C4' energy: -158.225
flat angles P-C4'-P energy: -85.308
tors. eta vs tors. theta energy: -187.236
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: 9
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -2107.102406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.102406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.102406 (E_RNA)
where:
Base-Base interactions energy: -1402.342
where: short stacking energy: -604.130
Base-Backbone interact. energy: -5.738
local terms energy: -699.022746
where:
bonds (distance) C4'-P energy: -133.280
bonds (distance) P-C4' energy: -139.128
flat angles C4'-P-C4' energy: -151.297
flat angles P-C4'-P energy: -102.094
tors. eta vs tors. theta energy: -173.223
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: 326
Temperature: 1.150000
Total energy: -1967.452282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.452282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.452282 (E_RNA)
where:
Base-Base interactions energy: -1343.479
where: short stacking energy: -564.108
Base-Backbone interact. energy: 0.847
local terms energy: -624.821168
where:
bonds (distance) C4'-P energy: -144.619
bonds (distance) P-C4' energy: -107.302
flat angles C4'-P-C4' energy: -152.825
flat angles P-C4'-P energy: -86.235
tors. eta vs tors. theta energy: -133.840
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: 6
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1543.256978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.256978 (E_RNA)
where:
Base-Base interactions energy: -962.842
where: short stacking energy: -441.641
Base-Backbone interact. energy: -5.557
local terms energy: -574.857699
where:
bonds (distance) C4'-P energy: -123.829
bonds (distance) P-C4' energy: -130.286
flat angles C4'-P-C4' energy: -134.772
flat angles P-C4'-P energy: -91.826
tors. eta vs tors. theta energy: -94.144
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: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1149.332543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.332543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.332543 (E_RNA)
where:
Base-Base interactions energy: -625.867
where: short stacking energy: -303.841
Base-Backbone interact. energy: 3.343
local terms energy: -526.809208
where:
bonds (distance) C4'-P energy: -133.273
bonds (distance) P-C4' energy: -138.997
flat angles C4'-P-C4' energy: -130.117
flat angles P-C4'-P energy: -66.933
tors. eta vs tors. theta energy: -57.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1021.839579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.839579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.839579 (E_RNA)
where:
Base-Base interactions energy: -511.325
where: short stacking energy: -254.033
Base-Backbone interact. energy: 6.005
local terms energy: -516.519503
where:
bonds (distance) C4'-P energy: -144.750
bonds (distance) P-C4' energy: -140.956
flat angles C4'-P-C4' energy: -135.243
flat angles P-C4'-P energy: -76.476
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -565.368208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.368208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.368208 (E_RNA)
where:
Base-Base interactions energy: -206.344
where: short stacking energy: -160.218
Base-Backbone interact. energy: 0.258
local terms energy: -359.282101
where:
bonds (distance) C4'-P energy: -111.431
bonds (distance) P-C4' energy: -119.596
flat angles C4'-P-C4' energy: -106.736
flat angles P-C4'-P energy: -53.379
tors. eta vs tors. theta energy: 31.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2692.678631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.678631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.678631 (E_RNA)
where:
Base-Base interactions energy: -1856.472
where: short stacking energy: -764.801
Base-Backbone interact. energy: -4.458
local terms energy: -831.749276
where:
bonds (distance) C4'-P energy: -152.489
bonds (distance) P-C4' energy: -147.537
flat angles C4'-P-C4' energy: -184.052
flat angles P-C4'-P energy: -116.032
tors. eta vs tors. theta energy: -231.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -2630.693349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.693349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.693349 (E_RNA)
where:
Base-Base interactions energy: -1811.847
where: short stacking energy: -746.214
Base-Backbone interact. energy: -4.757
local terms energy: -814.089583
where:
bonds (distance) C4'-P energy: -143.320
bonds (distance) P-C4' energy: -145.018
flat angles C4'-P-C4' energy: -174.784
flat angles P-C4'-P energy: -104.450
tors. eta vs tors. theta energy: -246.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -2489.980079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.980079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.980079 (E_RNA)
where:
Base-Base interactions energy: -1707.733
where: short stacking energy: -695.433
Base-Backbone interact. energy: -2.930
local terms energy: -779.317138
where:
bonds (distance) C4'-P energy: -141.364
bonds (distance) P-C4' energy: -137.893
flat angles C4'-P-C4' energy: -174.654
flat angles P-C4'-P energy: -109.763
tors. eta vs tors. theta energy: -215.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -2311.418561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.418561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.418561 (E_RNA)
where:
Base-Base interactions energy: -1608.790
where: short stacking energy: -655.266
Base-Backbone interact. energy: 4.247
local terms energy: -706.875681
where:
bonds (distance) C4'-P energy: -119.569
bonds (distance) P-C4' energy: -141.240
flat angles C4'-P-C4' energy: -154.221
flat angles P-C4'-P energy: -105.797
tors. eta vs tors. theta energy: -186.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -2154.023848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.023848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.023848 (E_RNA)
where:
Base-Base interactions energy: -1462.903
where: short stacking energy: -613.809
Base-Backbone interact. energy: 2.368
local terms energy: -693.489344
where:
bonds (distance) C4'-P energy: -126.135
bonds (distance) P-C4' energy: -143.176
flat angles C4'-P-C4' energy: -154.076
flat angles P-C4'-P energy: -85.735
tors. eta vs tors. theta energy: -184.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1995.116168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.116168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.116168 (E_RNA)
where:
Base-Base interactions energy: -1336.204
where: short stacking energy: -583.885
Base-Backbone interact. energy: -5.579
local terms energy: -653.332595
where:
bonds (distance) C4'-P energy: -120.994
bonds (distance) P-C4' energy: -137.261
flat angles C4'-P-C4' energy: -131.341
flat angles P-C4'-P energy: -89.604
tors. eta vs tors. theta energy: -174.131
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: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1547.456210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.456210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.456210 (E_RNA)
where:
Base-Base interactions energy: -968.643
where: short stacking energy: -427.438
Base-Backbone interact. energy: 6.209
local terms energy: -585.022337
where:
bonds (distance) C4'-P energy: -122.214
bonds (distance) P-C4' energy: -135.578
flat angles C4'-P-C4' energy: -139.792
flat angles P-C4'-P energy: -91.136
tors. eta vs tors. theta energy: -96.303
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1206.888360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.888360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.888360 (E_RNA)
where:
Base-Base interactions energy: -696.046
where: short stacking energy: -314.292
Base-Backbone interact. energy: 0.028
local terms energy: -510.870691
where:
bonds (distance) C4'-P energy: -140.224
bonds (distance) P-C4' energy: -135.290
flat angles C4'-P-C4' energy: -116.241
flat angles P-C4'-P energy: -82.166
tors. eta vs tors. theta energy: -36.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1053.132683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.132683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.132683 (E_RNA)
where:
Base-Base interactions energy: -607.713
where: short stacking energy: -313.580
Base-Backbone interact. energy: -3.595
local terms energy: -441.824749
where:
bonds (distance) C4'-P energy: -96.964
bonds (distance) P-C4' energy: -123.524
flat angles C4'-P-C4' energy: -114.972
flat angles P-C4'-P energy: -74.646
tors. eta vs tors. theta energy: -31.719
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: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -589.163787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.163787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.163787 (E_RNA)
where:
Base-Base interactions energy: -199.526
where: short stacking energy: -172.944
Base-Backbone interact. energy: 11.049
local terms energy: -400.687197
where:
bonds (distance) C4'-P energy: -121.213
bonds (distance) P-C4' energy: -130.000
flat angles C4'-P-C4' energy: -126.554
flat angles P-C4'-P energy: -42.833
tors. eta vs tors. theta energy: 19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2719.869497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.869497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.869497 (E_RNA)
where:
Base-Base interactions energy: -1847.462
where: short stacking energy: -772.925
Base-Backbone interact. energy: -1.114
local terms energy: -871.293806
where:
bonds (distance) C4'-P energy: -141.576
bonds (distance) P-C4' energy: -163.912
flat angles C4'-P-C4' energy: -190.613
flat angles P-C4'-P energy: -127.384
tors. eta vs tors. theta energy: -247.808
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: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2639.420144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.420144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.420144 (E_RNA)
where:
Base-Base interactions energy: -1813.645
where: short stacking energy: -756.998
Base-Backbone interact. energy: -3.415
local terms energy: -822.359493
where:
bonds (distance) C4'-P energy: -163.032
bonds (distance) P-C4' energy: -153.392
flat angles C4'-P-C4' energy: -167.629
flat angles P-C4'-P energy: -102.228
tors. eta vs tors. theta energy: -236.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -2440.673130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.673130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.673130 (E_RNA)
where:
Base-Base interactions energy: -1705.038
where: short stacking energy: -684.543
Base-Backbone interact. energy: -2.233
local terms energy: -733.401865
where:
bonds (distance) C4'-P energy: -140.057
bonds (distance) P-C4' energy: -131.299
flat angles C4'-P-C4' energy: -159.461
flat angles P-C4'-P energy: -110.671
tors. eta vs tors. theta energy: -191.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -2293.340634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.340634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.340634 (E_RNA)
where:
Base-Base interactions energy: -1544.321
where: short stacking energy: -659.203
Base-Backbone interact. energy: -5.770
local terms energy: -743.249784
where:
bonds (distance) C4'-P energy: -123.225
bonds (distance) P-C4' energy: -157.025
flat angles C4'-P-C4' energy: -155.823
flat angles P-C4'-P energy: -105.642
tors. eta vs tors. theta energy: -201.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -2106.914402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.914402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.914402 (E_RNA)
where:
Base-Base interactions energy: -1448.400
where: short stacking energy: -578.076
Base-Backbone interact. energy: -2.456
local terms energy: -656.058672
where:
bonds (distance) C4'-P energy: -129.243
bonds (distance) P-C4' energy: -113.163
flat angles C4'-P-C4' energy: -139.457
flat angles P-C4'-P energy: -102.514
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: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -2065.953123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.953123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.953123 (E_RNA)
where:
Base-Base interactions energy: -1385.665
where: short stacking energy: -579.509
Base-Backbone interact. energy: -0.605
local terms energy: -679.682877
where:
bonds (distance) C4'-P energy: -142.956
bonds (distance) P-C4' energy: -124.817
flat angles C4'-P-C4' energy: -154.058
flat angles P-C4'-P energy: -97.112
tors. eta vs tors. theta energy: -160.740
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: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1559.226508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.226508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.226508 (E_RNA)
where:
Base-Base interactions energy: -1004.709
where: short stacking energy: -450.137
Base-Backbone interact. energy: -2.904
local terms energy: -551.613485
where:
bonds (distance) C4'-P energy: -117.593
bonds (distance) P-C4' energy: -133.078
flat angles C4'-P-C4' energy: -127.728
flat angles P-C4'-P energy: -67.120
tors. eta vs tors. theta energy: -106.094
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: 328
Temperature: 1.250000
Total energy: -1237.644599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.644599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.644599 (E_RNA)
where:
Base-Base interactions energy: -733.861
where: short stacking energy: -357.585
Base-Backbone interact. energy: -2.622
local terms energy: -501.162292
where:
bonds (distance) C4'-P energy: -120.908
bonds (distance) P-C4' energy: -137.587
flat angles C4'-P-C4' energy: -127.005
flat angles P-C4'-P energy: -56.776
tors. eta vs tors. theta energy: -58.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1095.113308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.113308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.113308 (E_RNA)
where:
Base-Base interactions energy: -626.253
where: short stacking energy: -311.438
Base-Backbone interact. energy: 4.472
local terms energy: -473.331969
where:
bonds (distance) C4'-P energy: -98.073
bonds (distance) P-C4' energy: -126.754
flat angles C4'-P-C4' energy: -123.368
flat angles P-C4'-P energy: -78.800
tors. eta vs tors. theta energy: -46.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -580.456213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.456213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.456213 (E_RNA)
where:
Base-Base interactions energy: -203.774
where: short stacking energy: -185.960
Base-Backbone interact. energy: 0.251
local terms energy: -376.932969
where:
bonds (distance) C4'-P energy: -124.407
bonds (distance) P-C4' energy: -122.190
flat angles C4'-P-C4' energy: -114.032
flat angles P-C4'-P energy: -30.623
tors. eta vs tors. theta energy: 14.319
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: 329
Temperature: 0.900000
Total energy: -2699.570859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.570859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.570859 (E_RNA)
where:
Base-Base interactions energy: -1882.063
where: short stacking energy: -802.456
Base-Backbone interact. energy: -1.576
local terms energy: -815.931936
where:
bonds (distance) C4'-P energy: -141.156
bonds (distance) P-C4' energy: -153.162
flat angles C4'-P-C4' energy: -164.904
flat angles P-C4'-P energy: -111.401
tors. eta vs tors. theta energy: -245.309
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: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -2632.805654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.805654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.805654 (E_RNA)
where:
Base-Base interactions energy: -1845.152
where: short stacking energy: -747.871
Base-Backbone interact. energy: -0.100
local terms energy: -787.554152
where:
bonds (distance) C4'-P energy: -140.315
bonds (distance) P-C4' energy: -142.459
flat angles C4'-P-C4' energy: -169.556
flat angles P-C4'-P energy: -105.248
tors. eta vs tors. theta energy: -229.976
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: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -2419.641372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2419.641372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2419.641372 (E_RNA)
where:
Base-Base interactions energy: -1668.201
where: short stacking energy: -654.312
Base-Backbone interact. energy: -2.156
local terms energy: -749.285307
where:
bonds (distance) C4'-P energy: -152.128
bonds (distance) P-C4' energy: -161.564
flat angles C4'-P-C4' energy: -160.911
flat angles P-C4'-P energy: -86.615
tors. eta vs tors. theta energy: -188.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -2276.066951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.066951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.066951 (E_RNA)
where:
Base-Base interactions energy: -1572.374
where: short stacking energy: -647.054
Base-Backbone interact. energy: 0.143
local terms energy: -703.835844
where:
bonds (distance) C4'-P energy: -136.548
bonds (distance) P-C4' energy: -124.713
flat angles C4'-P-C4' energy: -161.135
flat angles P-C4'-P energy: -89.712
tors. eta vs tors. theta energy: -191.728
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: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -2081.512226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.512226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.512226 (E_RNA)
where:
Base-Base interactions energy: -1410.238
where: short stacking energy: -568.141
Base-Backbone interact. energy: 3.776
local terms energy: -675.049784
where:
bonds (distance) C4'-P energy: -141.631
bonds (distance) P-C4' energy: -143.186
flat angles C4'-P-C4' energy: -124.634
flat angles P-C4'-P energy: -103.894
tors. eta vs tors. theta energy: -161.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1967.059615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.059615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.059615 (E_RNA)
where:
Base-Base interactions energy: -1294.218
where: short stacking energy: -590.851
Base-Backbone interact. energy: -2.139
local terms energy: -670.702265
where:
bonds (distance) C4'-P energy: -136.164
bonds (distance) P-C4' energy: -140.030
flat angles C4'-P-C4' energy: -146.367
flat angles P-C4'-P energy: -85.798
tors. eta vs tors. theta energy: -162.343
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: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1513.955271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.955271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.955271 (E_RNA)
where:
Base-Base interactions energy: -977.172
where: short stacking energy: -414.957
Base-Backbone interact. energy: 4.397
local terms energy: -541.180166
where:
bonds (distance) C4'-P energy: -120.829
bonds (distance) P-C4' energy: -133.686
flat angles C4'-P-C4' energy: -129.054
flat angles P-C4'-P energy: -82.476
tors. eta vs tors. theta energy: -75.134
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: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1255.435932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.435932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.435932 (E_RNA)
where:
Base-Base interactions energy: -750.880
where: short stacking energy: -363.735
Base-Backbone interact. energy: -0.537
local terms energy: -504.018337
where:
bonds (distance) C4'-P energy: -97.313
bonds (distance) P-C4' energy: -130.281
flat angles C4'-P-C4' energy: -123.663
flat angles P-C4'-P energy: -70.073
tors. eta vs tors. theta energy: -82.688
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: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1014.539984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.539984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.539984 (E_RNA)
where:
Base-Base interactions energy: -558.411
where: short stacking energy: -269.454
Base-Backbone interact. energy: 1.646
local terms energy: -457.774443
where:
bonds (distance) C4'-P energy: -112.349
bonds (distance) P-C4' energy: -128.461
flat angles C4'-P-C4' energy: -95.773
flat angles P-C4'-P energy: -79.717
tors. eta vs tors. theta energy: -41.474
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: 10, replica: 1
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -556.513639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.513639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.513639 (E_RNA)
where:
Base-Base interactions energy: -178.587
where: short stacking energy: -126.679
Base-Backbone interact. energy: 2.829
local terms energy: -380.755217
where:
bonds (distance) C4'-P energy: -116.841
bonds (distance) P-C4' energy: -123.709
flat angles C4'-P-C4' energy: -113.959
flat angles P-C4'-P energy: -62.426
tors. eta vs tors. theta energy: 36.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2683.969863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.969863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.969863 (E_RNA)
where:
Base-Base interactions energy: -1837.721
where: short stacking energy: -790.237
Base-Backbone interact. energy: -2.357
local terms energy: -843.892257
where:
bonds (distance) C4'-P energy: -153.272
bonds (distance) P-C4' energy: -147.040
flat angles C4'-P-C4' energy: -181.006
flat angles P-C4'-P energy: -112.366
tors. eta vs tors. theta energy: -250.207
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: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2622.888016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.888016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.888016 (E_RNA)
where:
Base-Base interactions energy: -1818.302
where: short stacking energy: -762.556
Base-Backbone interact. energy: -2.966
local terms energy: -801.620952
where:
bonds (distance) C4'-P energy: -143.127
bonds (distance) P-C4' energy: -149.985
flat angles C4'-P-C4' energy: -165.626
flat angles P-C4'-P energy: -121.272
tors. eta vs tors. theta energy: -221.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -2453.317892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.317892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.317892 (E_RNA)
where:
Base-Base interactions energy: -1699.881
where: short stacking energy: -694.285
Base-Backbone interact. energy: -2.002
local terms energy: -751.434643
where:
bonds (distance) C4'-P energy: -145.485
bonds (distance) P-C4' energy: -142.279
flat angles C4'-P-C4' energy: -154.300
flat angles P-C4'-P energy: -108.547
tors. eta vs tors. theta energy: -200.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -2277.064735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.064735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.064735 (E_RNA)
where:
Base-Base interactions energy: -1554.929
where: short stacking energy: -668.723
Base-Backbone interact. energy: -1.294
local terms energy: -720.841654
where:
bonds (distance) C4'-P energy: -133.988
bonds (distance) P-C4' energy: -152.538
flat angles C4'-P-C4' energy: -134.834
flat angles P-C4'-P energy: -107.794
tors. eta vs tors. theta energy: -191.687
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: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -2092.543247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.543247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.543247 (E_RNA)
where:
Base-Base interactions energy: -1399.116
where: short stacking energy: -570.690
Base-Backbone interact. energy: -2.189
local terms energy: -691.237831
where:
bonds (distance) C4'-P energy: -129.016
bonds (distance) P-C4' energy: -131.793
flat angles C4'-P-C4' energy: -157.458
flat angles P-C4'-P energy: -113.633
tors. eta vs tors. theta energy: -159.339
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: 10
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1872.645093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.645093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.645093 (E_RNA)
where:
Base-Base interactions energy: -1252.997
where: short stacking energy: -533.285
Base-Backbone interact. energy: -1.047
local terms energy: -618.600848
where:
bonds (distance) C4'-P energy: -123.220
bonds (distance) P-C4' energy: -118.969
flat angles C4'-P-C4' energy: -131.907
flat angles P-C4'-P energy: -99.799
tors. eta vs tors. theta energy: -144.706
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1552.726375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.726375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.726375 (E_RNA)
where:
Base-Base interactions energy: -984.776
where: short stacking energy: -430.570
Base-Backbone interact. energy: -2.940
local terms energy: -565.009994
where:
bonds (distance) C4'-P energy: -119.663
bonds (distance) P-C4' energy: -142.997
flat angles C4'-P-C4' energy: -134.734
flat angles P-C4'-P energy: -74.328
tors. eta vs tors. theta energy: -93.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1223.374799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.374799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.374799 (E_RNA)
where:
Base-Base interactions energy: -729.489
where: short stacking energy: -345.549
Base-Backbone interact. energy: 0.621
local terms energy: -494.507230
where:
bonds (distance) C4'-P energy: -136.839
bonds (distance) P-C4' energy: -133.466
flat angles C4'-P-C4' energy: -99.589
flat angles P-C4'-P energy: -76.174
tors. eta vs tors. theta energy: -48.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1017.947461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.947461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.947461 (E_RNA)
where:
Base-Base interactions energy: -566.814
where: short stacking energy: -258.219
Base-Backbone interact. energy: -4.497
local terms energy: -446.636525
where:
bonds (distance) C4'-P energy: -117.903
bonds (distance) P-C4' energy: -120.727
flat angles C4'-P-C4' energy: -112.576
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -24.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -535.399349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.399349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.399349 (E_RNA)
where:
Base-Base interactions energy: -192.597
where: short stacking energy: -144.315
Base-Backbone interact. energy: -2.731
local terms energy: -340.071601
where:
bonds (distance) C4'-P energy: -112.130
bonds (distance) P-C4' energy: -124.260
flat angles C4'-P-C4' energy: -101.552
flat angles P-C4'-P energy: -53.994
tors. eta vs tors. theta energy: 51.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2664.910644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.910644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.910644 (E_RNA)
where:
Base-Base interactions energy: -1813.914
where: short stacking energy: -789.424
Base-Backbone interact. energy: -1.647
local terms energy: -849.349598
where:
bonds (distance) C4'-P energy: -146.647
bonds (distance) P-C4' energy: -159.743
flat angles C4'-P-C4' energy: -182.015
flat angles P-C4'-P energy: -112.970
tors. eta vs tors. theta energy: -247.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2629.184858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.184858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.184858 (E_RNA)
where:
Base-Base interactions energy: -1828.824
where: short stacking energy: -756.542
Base-Backbone interact. energy: -4.145
local terms energy: -796.215572
where:
bonds (distance) C4'-P energy: -149.351
bonds (distance) P-C4' energy: -149.375
flat angles C4'-P-C4' energy: -162.341
flat angles P-C4'-P energy: -101.839
tors. eta vs tors. theta energy: -233.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -2461.701272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.701272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.701272 (E_RNA)
where:
Base-Base interactions energy: -1717.255
where: short stacking energy: -675.582
Base-Backbone interact. energy: -1.557
local terms energy: -742.890117
where:
bonds (distance) C4'-P energy: -148.485
bonds (distance) P-C4' energy: -128.529
flat angles C4'-P-C4' energy: -149.940
flat angles P-C4'-P energy: -110.188
tors. eta vs tors. theta energy: -205.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -2289.891305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.891305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.891305 (E_RNA)
where:
Base-Base interactions energy: -1555.628
where: short stacking energy: -647.906
Base-Backbone interact. energy: -1.537
local terms energy: -732.726424
where:
bonds (distance) C4'-P energy: -136.955
bonds (distance) P-C4' energy: -141.999
flat angles C4'-P-C4' energy: -161.620
flat angles P-C4'-P energy: -98.150
tors. eta vs tors. theta energy: -194.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -2101.159191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.159191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.159191 (E_RNA)
where:
Base-Base interactions energy: -1413.129
where: short stacking energy: -584.807
Base-Backbone interact. energy: 1.222
local terms energy: -689.252500
where:
bonds (distance) C4'-P energy: -128.331
bonds (distance) P-C4' energy: -133.075
flat angles C4'-P-C4' energy: -158.085
flat angles P-C4'-P energy: -101.565
tors. eta vs tors. theta energy: -168.196
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: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1928.131980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.131980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.131980 (E_RNA)
where:
Base-Base interactions energy: -1275.196
where: short stacking energy: -528.148
Base-Backbone interact. energy: -3.147
local terms energy: -649.788535
where:
bonds (distance) C4'-P energy: -133.354
bonds (distance) P-C4' energy: -123.104
flat angles C4'-P-C4' energy: -149.526
flat angles P-C4'-P energy: -96.761
tors. eta vs tors. theta energy: -147.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1548.513781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.513781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.513781 (E_RNA)
where:
Base-Base interactions energy: -972.166
where: short stacking energy: -444.327
Base-Backbone interact. energy: 0.431
local terms energy: -576.779429
where:
bonds (distance) C4'-P energy: -120.664
bonds (distance) P-C4' energy: -132.572
flat angles C4'-P-C4' energy: -136.984
flat angles P-C4'-P energy: -92.812
tors. eta vs tors. theta energy: -93.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1160.122427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.122427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.122427 (E_RNA)
where:
Base-Base interactions energy: -625.965
where: short stacking energy: -314.584
Base-Backbone interact. energy: 1.391
local terms energy: -535.548833
where:
bonds (distance) C4'-P energy: -139.911
bonds (distance) P-C4' energy: -137.888
flat angles C4'-P-C4' energy: -123.103
flat angles P-C4'-P energy: -82.223
tors. eta vs tors. theta energy: -52.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1091.988593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.988593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.988593 (E_RNA)
where:
Base-Base interactions energy: -598.315
where: short stacking energy: -294.654
Base-Backbone interact. energy: -0.428
local terms energy: -493.245506
where:
bonds (distance) C4'-P energy: -129.595
bonds (distance) P-C4' energy: -132.485
flat angles C4'-P-C4' energy: -116.403
flat angles P-C4'-P energy: -70.931
tors. eta vs tors. theta energy: -43.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -537.892047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.892047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.892047 (E_RNA)
where:
Base-Base interactions energy: -161.498
where: short stacking energy: -126.420
Base-Backbone interact. energy: 2.431
local terms energy: -378.824943
where:
bonds (distance) C4'-P energy: -118.365
bonds (distance) P-C4' energy: -129.693
flat angles C4'-P-C4' energy: -96.423
flat angles P-C4'-P energy: -68.647
tors. eta vs tors. theta energy: 34.303
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: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2668.312377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.312377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.312377 (E_RNA)
where:
Base-Base interactions energy: -1837.239
where: short stacking energy: -765.564
Base-Backbone interact. energy: -2.898
local terms energy: -828.175388
where:
bonds (distance) C4'-P energy: -167.563
bonds (distance) P-C4' energy: -158.128
flat angles C4'-P-C4' energy: -167.411
flat angles P-C4'-P energy: -109.694
tors. eta vs tors. theta energy: -225.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2611.923955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.923955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.923955 (E_RNA)
where:
Base-Base interactions energy: -1801.256
where: short stacking energy: -756.854
Base-Backbone interact. energy: -2.757
local terms energy: -807.911217
where:
bonds (distance) C4'-P energy: -156.579
bonds (distance) P-C4' energy: -145.482
flat angles C4'-P-C4' energy: -168.482
flat angles P-C4'-P energy: -108.500
tors. eta vs tors. theta energy: -228.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -2470.051543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.051543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.051543 (E_RNA)
where:
Base-Base interactions energy: -1710.073
where: short stacking energy: -707.672
Base-Backbone interact. energy: -1.934
local terms energy: -758.044053
where:
bonds (distance) C4'-P energy: -127.621
bonds (distance) P-C4' energy: -132.469
flat angles C4'-P-C4' energy: -157.862
flat angles P-C4'-P energy: -121.286
tors. eta vs tors. theta energy: -218.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -2315.996160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.996160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.996160 (E_RNA)
where:
Base-Base interactions energy: -1565.942
where: short stacking energy: -654.368
Base-Backbone interact. energy: -4.446
local terms energy: -745.608665
where:
bonds (distance) C4'-P energy: -132.578
bonds (distance) P-C4' energy: -149.079
flat angles C4'-P-C4' energy: -159.833
flat angles P-C4'-P energy: -100.410
tors. eta vs tors. theta energy: -203.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -2103.296603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.296603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.296603 (E_RNA)
where:
Base-Base interactions energy: -1427.114
where: short stacking energy: -600.786
Base-Backbone interact. energy: -2.621
local terms energy: -673.561587
where:
bonds (distance) C4'-P energy: -138.315
bonds (distance) P-C4' energy: -133.084
flat angles C4'-P-C4' energy: -139.125
flat angles P-C4'-P energy: -88.297
tors. eta vs tors. theta energy: -174.741
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: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1958.472387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.472387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.472387 (E_RNA)
where:
Base-Base interactions energy: -1279.061
where: short stacking energy: -550.486
Base-Backbone interact. energy: -1.000
local terms energy: -678.411496
where:
bonds (distance) C4'-P energy: -129.787
bonds (distance) P-C4' energy: -125.015
flat angles C4'-P-C4' energy: -152.221
flat angles P-C4'-P energy: -101.051
tors. eta vs tors. theta energy: -170.338
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1596.346448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.346448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.346448 (E_RNA)
where:
Base-Base interactions energy: -989.415
where: short stacking energy: -427.724
Base-Backbone interact. energy: 3.013
local terms energy: -609.944720
where:
bonds (distance) C4'-P energy: -128.896
bonds (distance) P-C4' energy: -156.908
flat angles C4'-P-C4' energy: -135.653
flat angles P-C4'-P energy: -97.275
tors. eta vs tors. theta energy: -91.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1196.464893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.464893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.464893 (E_RNA)
where:
Base-Base interactions energy: -698.210
where: short stacking energy: -333.988
Base-Backbone interact. energy: -3.841
local terms energy: -494.413106
where:
bonds (distance) C4'-P energy: -106.313
bonds (distance) P-C4' energy: -116.450
flat angles C4'-P-C4' energy: -122.851
flat angles P-C4'-P energy: -85.090
tors. eta vs tors. theta energy: -63.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1095.999936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.999936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.999936 (E_RNA)
where:
Base-Base interactions energy: -614.571
where: short stacking energy: -296.643
Base-Backbone interact. energy: 2.244
local terms energy: -483.673270
where:
bonds (distance) C4'-P energy: -113.748
bonds (distance) P-C4' energy: -130.003
flat angles C4'-P-C4' energy: -111.917
flat angles P-C4'-P energy: -94.126
tors. eta vs tors. theta energy: -33.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -557.736914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.736914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.736914 (E_RNA)
where:
Base-Base interactions energy: -182.616
where: short stacking energy: -149.792
Base-Backbone interact. energy: 0.068
local terms energy: -375.188440
where:
bonds (distance) C4'-P energy: -105.237
bonds (distance) P-C4' energy: -143.290
flat angles C4'-P-C4' energy: -103.716
flat angles P-C4'-P energy: -46.604
tors. eta vs tors. theta energy: 23.658
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: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2634.965429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2634.965429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2634.965429 (E_RNA)
where:
Base-Base interactions energy: -1837.871
where: short stacking energy: -776.990
Base-Backbone interact. energy: -5.013
local terms energy: -792.080739
where:
bonds (distance) C4'-P energy: -131.817
bonds (distance) P-C4' energy: -142.853
flat angles C4'-P-C4' energy: -168.597
flat angles P-C4'-P energy: -117.116
tors. eta vs tors. theta energy: -231.699
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2600.408881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.408881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.408881 (E_RNA)
where:
Base-Base interactions energy: -1790.229
where: short stacking energy: -758.868
Base-Backbone interact. energy: 0.221
local terms energy: -810.400189
where:
bonds (distance) C4'-P energy: -151.118
bonds (distance) P-C4' energy: -143.345
flat angles C4'-P-C4' energy: -180.598
flat angles P-C4'-P energy: -98.201
tors. eta vs tors. theta energy: -237.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -2470.270745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.270745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.270745 (E_RNA)
where:
Base-Base interactions energy: -1728.892
where: short stacking energy: -701.630
Base-Backbone interact. energy: 0.563
local terms energy: -741.942229
where:
bonds (distance) C4'-P energy: -147.962
bonds (distance) P-C4' energy: -139.372
flat angles C4'-P-C4' energy: -147.457
flat angles P-C4'-P energy: -98.363
tors. eta vs tors. theta energy: -208.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -2259.941344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.941344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.941344 (E_RNA)
where:
Base-Base interactions energy: -1565.078
where: short stacking energy: -655.804
Base-Backbone interact. energy: -4.586
local terms energy: -690.277663
where:
bonds (distance) C4'-P energy: -137.241
bonds (distance) P-C4' energy: -140.913
flat angles C4'-P-C4' energy: -145.589
flat angles P-C4'-P energy: -76.664
tors. eta vs tors. theta energy: -189.871
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: 5, replica: 9
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -2121.669412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.669412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.669412 (E_RNA)
where:
Base-Base interactions energy: -1475.220
where: short stacking energy: -594.713
Base-Backbone interact. energy: 0.063
local terms energy: -646.512578
where:
bonds (distance) C4'-P energy: -116.174
bonds (distance) P-C4' energy: -137.023
flat angles C4'-P-C4' energy: -135.785
flat angles P-C4'-P energy: -86.452
tors. eta vs tors. theta energy: -171.079
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: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -2034.264233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.264233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.264233 (E_RNA)
where:
Base-Base interactions energy: -1321.818
where: short stacking energy: -570.262
Base-Backbone interact. energy: -2.226
local terms energy: -710.220432
where:
bonds (distance) C4'-P energy: -149.509
bonds (distance) P-C4' energy: -144.679
flat angles C4'-P-C4' energy: -152.251
flat angles P-C4'-P energy: -105.847
tors. eta vs tors. theta energy: -157.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1576.768770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.768770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.768770 (E_RNA)
where:
Base-Base interactions energy: -982.441
where: short stacking energy: -411.419
Base-Backbone interact. energy: -1.180
local terms energy: -593.147795
where:
bonds (distance) C4'-P energy: -132.245
bonds (distance) P-C4' energy: -154.383
flat angles C4'-P-C4' energy: -133.274
flat angles P-C4'-P energy: -86.622
tors. eta vs tors. theta energy: -86.624
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: 8, replica: 4
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1273.727505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.727505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.727505 (E_RNA)
where:
Base-Base interactions energy: -798.303
where: short stacking energy: -347.116
Base-Backbone interact. energy: -1.092
local terms energy: -474.332347
where:
bonds (distance) C4'-P energy: -96.530
bonds (distance) P-C4' energy: -121.750
flat angles C4'-P-C4' energy: -120.658
flat angles P-C4'-P energy: -74.535
tors. eta vs tors. theta energy: -60.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1084.664920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.664920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.664920 (E_RNA)
where:
Base-Base interactions energy: -665.263
where: short stacking energy: -318.149
Base-Backbone interact. energy: 5.509
local terms energy: -424.911294
where:
bonds (distance) C4'-P energy: -118.266
bonds (distance) P-C4' energy: -110.217
flat angles C4'-P-C4' energy: -105.086
flat angles P-C4'-P energy: -64.278
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -528.756735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.756735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.756735 (E_RNA)
where:
Base-Base interactions energy: -179.515
where: short stacking energy: -120.238
Base-Backbone interact. energy: 2.427
local terms energy: -351.668594
where:
bonds (distance) C4'-P energy: -98.287
bonds (distance) P-C4' energy: -127.339
flat angles C4'-P-C4' energy: -94.604
flat angles P-C4'-P energy: -69.205
tors. eta vs tors. theta energy: 37.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2653.198597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2653.198597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2653.198597 (E_RNA)
where:
Base-Base interactions energy: -1787.092
where: short stacking energy: -775.914
Base-Backbone interact. energy: -2.181
local terms energy: -863.925398
where:
bonds (distance) C4'-P energy: -154.648
bonds (distance) P-C4' energy: -161.173
flat angles C4'-P-C4' energy: -173.146
flat angles P-C4'-P energy: -123.830
tors. eta vs tors. theta energy: -251.130
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2617.091910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2617.091910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2617.091910 (E_RNA)
where:
Base-Base interactions energy: -1790.698
where: short stacking energy: -747.338
Base-Backbone interact. energy: -1.661
local terms energy: -824.732880
where:
bonds (distance) C4'-P energy: -157.275
bonds (distance) P-C4' energy: -150.990
flat angles C4'-P-C4' energy: -177.007
flat angles P-C4'-P energy: -115.329
tors. eta vs tors. theta energy: -224.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -2452.400401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.400401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.400401 (E_RNA)
where:
Base-Base interactions energy: -1694.469
where: short stacking energy: -665.653
Base-Backbone interact. energy: -6.468
local terms energy: -751.463017
where:
bonds (distance) C4'-P energy: -159.150
bonds (distance) P-C4' energy: -144.389
flat angles C4'-P-C4' energy: -152.673
flat angles P-C4'-P energy: -94.948
tors. eta vs tors. theta energy: -200.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -2320.568013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2320.568013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2320.568013 (E_RNA)
where:
Base-Base interactions energy: -1584.124
where: short stacking energy: -678.886
Base-Backbone interact. energy: 4.824
local terms energy: -741.268149
where:
bonds (distance) C4'-P energy: -142.543
bonds (distance) P-C4' energy: -135.427
flat angles C4'-P-C4' energy: -154.761
flat angles P-C4'-P energy: -109.102
tors. eta vs tors. theta energy: -199.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -2164.391663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.391663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.391663 (E_RNA)
where:
Base-Base interactions energy: -1478.698
where: short stacking energy: -609.756
Base-Backbone interact. energy: -3.149
local terms energy: -682.544460
where:
bonds (distance) C4'-P energy: -150.234
bonds (distance) P-C4' energy: -118.394
flat angles C4'-P-C4' energy: -153.828
flat angles P-C4'-P energy: -102.426
tors. eta vs tors. theta energy: -157.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -2021.720691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.720691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.720691 (E_RNA)
where:
Base-Base interactions energy: -1361.030
where: short stacking energy: -596.487
Base-Backbone interact. energy: 0.543
local terms energy: -661.233692
where:
bonds (distance) C4'-P energy: -119.401
bonds (distance) P-C4' energy: -135.193
flat angles C4'-P-C4' energy: -133.371
flat angles P-C4'-P energy: -96.411
tors. eta vs tors. theta energy: -176.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1587.954677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.954677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.954677 (E_RNA)
where:
Base-Base interactions energy: -1001.689
where: short stacking energy: -430.079
Base-Backbone interact. energy: -2.353
local terms energy: -583.912393
where:
bonds (distance) C4'-P energy: -119.540
bonds (distance) P-C4' energy: -146.412
flat angles C4'-P-C4' energy: -122.001
flat angles P-C4'-P energy: -86.869
tors. eta vs tors. theta energy: -109.090
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: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1277.591734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.591734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.591734 (E_RNA)
where:
Base-Base interactions energy: -770.064
where: short stacking energy: -367.824
Base-Backbone interact. energy: 2.703
local terms energy: -510.230912
where:
bonds (distance) C4'-P energy: -123.635
bonds (distance) P-C4' energy: -121.295
flat angles C4'-P-C4' energy: -134.636
flat angles P-C4'-P energy: -60.352
tors. eta vs tors. theta energy: -70.313
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: 7
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1094.101109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.101109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.101109 (E_RNA)
where:
Base-Base interactions energy: -627.819
where: short stacking energy: -302.541
Base-Backbone interact. energy: 0.721
local terms energy: -467.003583
where:
bonds (distance) C4'-P energy: -118.030
bonds (distance) P-C4' energy: -143.800
flat angles C4'-P-C4' energy: -108.691
flat angles P-C4'-P energy: -71.034
tors. eta vs tors. theta energy: -25.449
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: 10, replica: 1
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -556.247782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.247782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.247782 (E_RNA)
where:
Base-Base interactions energy: -179.294
where: short stacking energy: -153.056
Base-Backbone interact. energy: 4.720
local terms energy: -381.674259
where:
bonds (distance) C4'-P energy: -121.910
bonds (distance) P-C4' energy: -127.353
flat angles C4'-P-C4' energy: -99.552
flat angles P-C4'-P energy: -71.670
tors. eta vs tors. theta energy: 38.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2673.913873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.913873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.913873 (E_RNA)
where:
Base-Base interactions energy: -1834.803
where: short stacking energy: -779.542
Base-Backbone interact. energy: -3.980
local terms energy: -835.131617
where:
bonds (distance) C4'-P energy: -142.627
bonds (distance) P-C4' energy: -153.675
flat angles C4'-P-C4' energy: -174.226
flat angles P-C4'-P energy: -117.445
tors. eta vs tors. theta energy: -247.159
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: 2
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2627.488659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.488659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.488659 (E_RNA)
where:
Base-Base interactions energy: -1808.106
where: short stacking energy: -762.286
Base-Backbone interact. energy: -0.754
local terms energy: -818.628781
where:
bonds (distance) C4'-P energy: -148.087
bonds (distance) P-C4' energy: -147.471
flat angles C4'-P-C4' energy: -161.892
flat angles P-C4'-P energy: -131.726
tors. eta vs tors. theta energy: -229.452
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: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -2453.416805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.416805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.416805 (E_RNA)
where:
Base-Base interactions energy: -1680.857
where: short stacking energy: -683.123
Base-Backbone interact. energy: -2.411
local terms energy: -770.148275
where:
bonds (distance) C4'-P energy: -135.372
bonds (distance) P-C4' energy: -155.046
flat angles C4'-P-C4' energy: -148.206
flat angles P-C4'-P energy: -120.292
tors. eta vs tors. theta energy: -211.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -2341.962246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.962246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.962246 (E_RNA)
where:
Base-Base interactions energy: -1631.958
where: short stacking energy: -685.662
Base-Backbone interact. energy: -3.910
local terms energy: -706.094579
where:
bonds (distance) C4'-P energy: -131.582
bonds (distance) P-C4' energy: -130.882
flat angles C4'-P-C4' energy: -142.292
flat angles P-C4'-P energy: -91.268
tors. eta vs tors. theta energy: -210.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -2139.663555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2139.663555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2139.663555 (E_RNA)
where:
Base-Base interactions energy: -1482.225
where: short stacking energy: -615.514
Base-Backbone interact. energy: 2.996
local terms energy: -660.435172
where:
bonds (distance) C4'-P energy: -118.379
bonds (distance) P-C4' energy: -123.017
flat angles C4'-P-C4' energy: -144.101
flat angles P-C4'-P energy: -103.067
tors. eta vs tors. theta energy: -171.871
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: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1956.740684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.740684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.740684 (E_RNA)
where:
Base-Base interactions energy: -1298.736
where: short stacking energy: -549.297
Base-Backbone interact. energy: 1.230
local terms energy: -659.234119
where:
bonds (distance) C4'-P energy: -126.923
bonds (distance) P-C4' energy: -135.455
flat angles C4'-P-C4' energy: -139.022
flat angles P-C4'-P energy: -97.659
tors. eta vs tors. theta energy: -160.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1572.519745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.519745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.519745 (E_RNA)
where:
Base-Base interactions energy: -1001.737
where: short stacking energy: -458.144
Base-Backbone interact. energy: -0.913
local terms energy: -569.869983
where:
bonds (distance) C4'-P energy: -104.150
bonds (distance) P-C4' energy: -123.410
flat angles C4'-P-C4' energy: -134.587
flat angles P-C4'-P energy: -88.628
tors. eta vs tors. theta energy: -119.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1319.469630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.469630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.469630 (E_RNA)
where:
Base-Base interactions energy: -770.673
where: short stacking energy: -375.121
Base-Backbone interact. energy: -2.534
local terms energy: -546.261944
where:
bonds (distance) C4'-P energy: -136.486
bonds (distance) P-C4' energy: -133.965
flat angles C4'-P-C4' energy: -127.106
flat angles P-C4'-P energy: -63.644
tors. eta vs tors. theta energy: -85.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1016.218531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.218531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.218531 (E_RNA)
where:
Base-Base interactions energy: -557.997
where: short stacking energy: -274.950
Base-Backbone interact. energy: 0.589
local terms energy: -458.810737
where:
bonds (distance) C4'-P energy: -111.977
bonds (distance) P-C4' energy: -131.243
flat angles C4'-P-C4' energy: -112.265
flat angles P-C4'-P energy: -63.172
tors. eta vs tors. theta energy: -40.153
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: 1
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -557.878758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.878758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.878758 (E_RNA)
where:
Base-Base interactions energy: -217.551
where: short stacking energy: -152.527
Base-Backbone interact. energy: -1.211
local terms energy: -339.117306
where:
bonds (distance) C4'-P energy: -117.731
bonds (distance) P-C4' energy: -130.716
flat angles C4'-P-C4' energy: -73.508
flat angles P-C4'-P energy: -47.468
tors. eta vs tors. theta energy: 30.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2657.459745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2657.459745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2657.459745 (E_RNA)
where:
Base-Base interactions energy: -1821.199
where: short stacking energy: -779.898
Base-Backbone interact. energy: -1.647
local terms energy: -834.613520
where:
bonds (distance) C4'-P energy: -152.516
bonds (distance) P-C4' energy: -144.444
flat angles C4'-P-C4' energy: -175.853
flat angles P-C4'-P energy: -134.225
tors. eta vs tors. theta energy: -227.575
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: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2564.047988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.047988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.047988 (E_RNA)
where:
Base-Base interactions energy: -1773.238
where: short stacking energy: -729.576
Base-Backbone interact. energy: -2.973
local terms energy: -787.837334
where:
bonds (distance) C4'-P energy: -149.553
bonds (distance) P-C4' energy: -141.905
flat angles C4'-P-C4' energy: -165.786
flat angles P-C4'-P energy: -109.848
tors. eta vs tors. theta energy: -220.745
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: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -2457.350084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2457.350084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2457.350084 (E_RNA)
where:
Base-Base interactions energy: -1725.051
where: short stacking energy: -680.192
Base-Backbone interact. energy: 0.384
local terms energy: -732.682946
where:
bonds (distance) C4'-P energy: -132.833
bonds (distance) P-C4' energy: -150.871
flat angles C4'-P-C4' energy: -146.710
flat angles P-C4'-P energy: -96.097
tors. eta vs tors. theta energy: -206.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -2307.002516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2307.002516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2307.002516 (E_RNA)
where:
Base-Base interactions energy: -1592.226
where: short stacking energy: -652.839
Base-Backbone interact. energy: -1.756
local terms energy: -713.019980
where:
bonds (distance) C4'-P energy: -129.884
bonds (distance) P-C4' energy: -143.421
flat angles C4'-P-C4' energy: -146.923
flat angles P-C4'-P energy: -95.419
tors. eta vs tors. theta energy: -197.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -2148.637744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.637744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.637744 (E_RNA)
where:
Base-Base interactions energy: -1460.644
where: short stacking energy: -598.692
Base-Backbone interact. energy: -0.563
local terms energy: -687.431029
where:
bonds (distance) C4'-P energy: -150.706
bonds (distance) P-C4' energy: -141.746
flat angles C4'-P-C4' energy: -137.255
flat angles P-C4'-P energy: -97.501
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: 336
Temperature: 1.150000
Total energy: -1964.200010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.200010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.200010 (E_RNA)
where:
Base-Base interactions energy: -1316.929
where: short stacking energy: -551.953
Base-Backbone interact. energy: -3.568
local terms energy: -643.702772
where:
bonds (distance) C4'-P energy: -138.050
bonds (distance) P-C4' energy: -119.984
flat angles C4'-P-C4' energy: -159.016
flat angles P-C4'-P energy: -85.978
tors. eta vs tors. theta energy: -140.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1628.818602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.818602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.818602 (E_RNA)
where:
Base-Base interactions energy: -1028.612
where: short stacking energy: -460.588
Base-Backbone interact. energy: -2.453
local terms energy: -597.753517
where:
bonds (distance) C4'-P energy: -111.481
bonds (distance) P-C4' energy: -135.074
flat angles C4'-P-C4' energy: -143.019
flat angles P-C4'-P energy: -93.452
tors. eta vs tors. theta energy: -114.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1344.213962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.213962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.213962 (E_RNA)
where:
Base-Base interactions energy: -829.723
where: short stacking energy: -357.021
Base-Backbone interact. energy: 3.515
local terms energy: -518.005656
where:
bonds (distance) C4'-P energy: -124.062
bonds (distance) P-C4' energy: -137.611
flat angles C4'-P-C4' energy: -97.864
flat angles P-C4'-P energy: -84.479
tors. eta vs tors. theta energy: -73.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1031.606037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.606037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.606037 (E_RNA)
where:
Base-Base interactions energy: -577.579
where: short stacking energy: -287.837
Base-Backbone interact. energy: -0.450
local terms energy: -453.576730
where:
bonds (distance) C4'-P energy: -119.689
bonds (distance) P-C4' energy: -108.912
flat angles C4'-P-C4' energy: -112.966
flat angles P-C4'-P energy: -72.396
tors. eta vs tors. theta energy: -39.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -555.202500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.202500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.202500 (E_RNA)
where:
Base-Base interactions energy: -178.170
where: short stacking energy: -150.292
Base-Backbone interact. energy: 0.292
local terms energy: -377.324677
where:
bonds (distance) C4'-P energy: -129.629
bonds (distance) P-C4' energy: -106.887
flat angles C4'-P-C4' energy: -98.333
flat angles P-C4'-P energy: -64.642
tors. eta vs tors. theta energy: 22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -2672.019864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2672.019864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2672.019864 (E_RNA)
where:
Base-Base interactions energy: -1830.390
where: short stacking energy: -775.496
Base-Backbone interact. energy: -1.332
local terms energy: -840.297769
where:
bonds (distance) C4'-P energy: -141.125
bonds (distance) P-C4' energy: -156.305
flat angles C4'-P-C4' energy: -176.161
flat angles P-C4'-P energy: -124.914
tors. eta vs tors. theta energy: -241.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2569.027718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.027718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.027718 (E_RNA)
where:
Base-Base interactions energy: -1777.146
where: short stacking energy: -717.652
Base-Backbone interact. energy: -4.839
local terms energy: -787.042640
where:
bonds (distance) C4'-P energy: -146.011
bonds (distance) P-C4' energy: -156.456
flat angles C4'-P-C4' energy: -159.158
flat angles P-C4'-P energy: -106.102
tors. eta vs tors. theta energy: -219.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -2436.802824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.802824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.802824 (E_RNA)
where:
Base-Base interactions energy: -1704.619
where: short stacking energy: -685.171
Base-Backbone interact. energy: -0.973
local terms energy: -731.210430
where:
bonds (distance) C4'-P energy: -127.733
bonds (distance) P-C4' energy: -133.993
flat angles C4'-P-C4' energy: -151.882
flat angles P-C4'-P energy: -107.471
tors. eta vs tors. theta energy: -210.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -2325.552903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.552903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.552903 (E_RNA)
where:
Base-Base interactions energy: -1575.714
where: short stacking energy: -660.764
Base-Backbone interact. energy: 0.518
local terms energy: -750.356756
where:
bonds (distance) C4'-P energy: -121.479
bonds (distance) P-C4' energy: -150.059
flat angles C4'-P-C4' energy: -173.688
flat angles P-C4'-P energy: -106.293
tors. eta vs tors. theta energy: -198.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -2135.990550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.990550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.990550 (E_RNA)
where:
Base-Base interactions energy: -1456.708
where: short stacking energy: -612.940
Base-Backbone interact. energy: 3.667
local terms energy: -682.949767
where:
bonds (distance) C4'-P energy: -117.950
bonds (distance) P-C4' energy: -145.719
flat angles C4'-P-C4' energy: -146.106
flat angles P-C4'-P energy: -95.667
tors. eta vs tors. theta energy: -177.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1961.306480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.306480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.306480 (E_RNA)
where:
Base-Base interactions energy: -1311.680
where: short stacking energy: -573.840
Base-Backbone interact. energy: -1.674
local terms energy: -647.952145
where:
bonds (distance) C4'-P energy: -137.490
bonds (distance) P-C4' energy: -125.396
flat angles C4'-P-C4' energy: -141.196
flat angles P-C4'-P energy: -95.389
tors. eta vs tors. theta energy: -148.481
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: 6
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1673.694758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.694758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.694758 (E_RNA)
where:
Base-Base interactions energy: -1094.405
where: short stacking energy: -487.817
Base-Backbone interact. energy: -2.396
local terms energy: -576.893974
where:
bonds (distance) C4'-P energy: -108.984
bonds (distance) P-C4' energy: -131.638
flat angles C4'-P-C4' energy: -129.202
flat angles P-C4'-P energy: -75.678
tors. eta vs tors. theta energy: -131.392
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: 4
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1347.229146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.229146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.229146 (E_RNA)
where:
Base-Base interactions energy: -875.791
where: short stacking energy: -365.795
Base-Backbone interact. energy: 3.809
local terms energy: -475.246260
where:
bonds (distance) C4'-P energy: -132.301
bonds (distance) P-C4' energy: -113.082
flat angles C4'-P-C4' energy: -87.158
flat angles P-C4'-P energy: -87.485
tors. eta vs tors. theta energy: -55.221
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: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -975.225743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.225743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.225743 (E_RNA)
where:
Base-Base interactions energy: -530.334
where: short stacking energy: -268.971
Base-Backbone interact. energy: -0.593
local terms energy: -444.298478
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -150.790
flat angles C4'-P-C4' energy: -89.493
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -14.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -529.937078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.937078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.937078 (E_RNA)
where:
Base-Base interactions energy: -178.870
where: short stacking energy: -141.345
Base-Backbone interact. energy: -3.153
local terms energy: -347.913776
where:
bonds (distance) C4'-P energy: -129.205
bonds (distance) P-C4' energy: -127.075
flat angles C4'-P-C4' energy: -75.697
flat angles P-C4'-P energy: -61.027
tors. eta vs tors. theta energy: 45.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2676.980140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.980140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.980140 (E_RNA)
where:
Base-Base interactions energy: -1833.791
where: short stacking energy: -778.869
Base-Backbone interact. energy: -3.596
local terms energy: -839.593139
where:
bonds (distance) C4'-P energy: -154.256
bonds (distance) P-C4' energy: -150.265
flat angles C4'-P-C4' energy: -174.171
flat angles P-C4'-P energy: -113.623
tors. eta vs tors. theta energy: -247.278
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: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2583.578248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.578248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.578248 (E_RNA)
where:
Base-Base interactions energy: -1790.307
where: short stacking energy: -748.361
Base-Backbone interact. energy: -2.238
local terms energy: -791.033300
where:
bonds (distance) C4'-P energy: -144.499
bonds (distance) P-C4' energy: -144.075
flat angles C4'-P-C4' energy: -165.329
flat angles P-C4'-P energy: -111.415
tors. eta vs tors. theta energy: -225.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -2452.369281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.369281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.369281 (E_RNA)
where:
Base-Base interactions energy: -1685.365
where: short stacking energy: -714.568
Base-Backbone interact. energy: 1.063
local terms energy: -768.068004
where:
bonds (distance) C4'-P energy: -137.363
bonds (distance) P-C4' energy: -140.012
flat angles C4'-P-C4' energy: -162.399
flat angles P-C4'-P energy: -105.389
tors. eta vs tors. theta energy: -222.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -2270.681161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.681161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.681161 (E_RNA)
where:
Base-Base interactions energy: -1561.718
where: short stacking energy: -640.153
Base-Backbone interact. energy: -3.899
local terms energy: -705.063738
where:
bonds (distance) C4'-P energy: -133.018
bonds (distance) P-C4' energy: -113.844
flat angles C4'-P-C4' energy: -161.719
flat angles P-C4'-P energy: -97.014
tors. eta vs tors. theta energy: -199.469
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: 9
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -2118.158707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.158707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.158707 (E_RNA)
where:
Base-Base interactions energy: -1424.881
where: short stacking energy: -596.169
Base-Backbone interact. energy: -3.572
local terms energy: -689.705564
where:
bonds (distance) C4'-P energy: -120.281
bonds (distance) P-C4' energy: -127.994
flat angles C4'-P-C4' energy: -158.388
flat angles P-C4'-P energy: -98.272
tors. eta vs tors. theta energy: -184.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -2047.176185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.176185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.176185 (E_RNA)
where:
Base-Base interactions energy: -1380.022
where: short stacking energy: -634.451
Base-Backbone interact. energy: -0.826
local terms energy: -666.327463
where:
bonds (distance) C4'-P energy: -130.435
bonds (distance) P-C4' energy: -127.710
flat angles C4'-P-C4' energy: -143.790
flat angles P-C4'-P energy: -92.131
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: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1642.240101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.240101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.240101 (E_RNA)
where:
Base-Base interactions energy: -1066.508
where: short stacking energy: -452.596
Base-Backbone interact. energy: -2.743
local terms energy: -572.989155
where:
bonds (distance) C4'-P energy: -114.584
bonds (distance) P-C4' energy: -123.749
flat angles C4'-P-C4' energy: -128.221
flat angles P-C4'-P energy: -90.576
tors. eta vs tors. theta energy: -115.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1327.057043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.057043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.057043 (E_RNA)
where:
Base-Base interactions energy: -786.061
where: short stacking energy: -389.372
Base-Backbone interact. energy: -4.694
local terms energy: -536.301683
where:
bonds (distance) C4'-P energy: -126.332
bonds (distance) P-C4' energy: -131.224
flat angles C4'-P-C4' energy: -126.119
flat angles P-C4'-P energy: -81.220
tors. eta vs tors. theta energy: -71.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -993.235213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.235213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.235213 (E_RNA)
where:
Base-Base interactions energy: -538.688
where: short stacking energy: -265.645
Base-Backbone interact. energy: 3.547
local terms energy: -458.094741
where:
bonds (distance) C4'-P energy: -138.409
bonds (distance) P-C4' energy: -121.930
flat angles C4'-P-C4' energy: -117.360
flat angles P-C4'-P energy: -58.466
tors. eta vs tors. theta energy: -21.930
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: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -548.208639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.208639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.208639 (E_RNA)
where:
Base-Base interactions energy: -194.297
where: short stacking energy: -154.637
Base-Backbone interact. energy: 4.939
local terms energy: -358.851381
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -106.467
flat angles C4'-P-C4' energy: -100.576
flat angles P-C4'-P energy: -57.119
tors. eta vs tors. theta energy: 39.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2670.084618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.084618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.084618 (E_RNA)
where:
Base-Base interactions energy: -1827.041
where: short stacking energy: -766.908
Base-Backbone interact. energy: -2.515
local terms energy: -840.528575
where:
bonds (distance) C4'-P energy: -145.455
bonds (distance) P-C4' energy: -159.623
flat angles C4'-P-C4' energy: -175.620
flat angles P-C4'-P energy: -119.456
tors. eta vs tors. theta energy: -240.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2559.963692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.963692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.963692 (E_RNA)
where:
Base-Base interactions energy: -1787.317
where: short stacking energy: -734.644
Base-Backbone interact. energy: 0.019
local terms energy: -772.665751
where:
bonds (distance) C4'-P energy: -130.925
bonds (distance) P-C4' energy: -153.048
flat angles C4'-P-C4' energy: -158.977
flat angles P-C4'-P energy: -106.539
tors. eta vs tors. theta energy: -223.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -2434.912988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.912988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.912988 (E_RNA)
where:
Base-Base interactions energy: -1679.347
where: short stacking energy: -674.565
Base-Backbone interact. energy: -5.436
local terms energy: -750.130790
where:
bonds (distance) C4'-P energy: -138.500
bonds (distance) P-C4' energy: -145.198
flat angles C4'-P-C4' energy: -150.677
flat angles P-C4'-P energy: -105.024
tors. eta vs tors. theta energy: -210.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -2294.692067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.692067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.692067 (E_RNA)
where:
Base-Base interactions energy: -1577.360
where: short stacking energy: -679.578
Base-Backbone interact. energy: 2.534
local terms energy: -719.865422
where:
bonds (distance) C4'-P energy: -135.433
bonds (distance) P-C4' energy: -140.636
flat angles C4'-P-C4' energy: -160.139
flat angles P-C4'-P energy: -90.286
tors. eta vs tors. theta energy: -193.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -2093.000825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.000825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.000825 (E_RNA)
where:
Base-Base interactions energy: -1412.465
where: short stacking energy: -595.361
Base-Backbone interact. energy: -0.957
local terms energy: -679.579465
where:
bonds (distance) C4'-P energy: -134.170
bonds (distance) P-C4' energy: -132.360
flat angles C4'-P-C4' energy: -149.582
flat angles P-C4'-P energy: -98.068
tors. eta vs tors. theta energy: -165.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1989.784341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.784341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.784341 (E_RNA)
where:
Base-Base interactions energy: -1322.269
where: short stacking energy: -580.879
Base-Backbone interact. energy: -1.671
local terms energy: -665.843654
where:
bonds (distance) C4'-P energy: -129.466
bonds (distance) P-C4' energy: -136.254
flat angles C4'-P-C4' energy: -139.428
flat angles P-C4'-P energy: -102.609
tors. eta vs tors. theta energy: -158.087
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: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1643.673011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.673011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.673011 (E_RNA)
where:
Base-Base interactions energy: -1041.674
where: short stacking energy: -453.877
Base-Backbone interact. energy: 1.324
local terms energy: -603.322631
where:
bonds (distance) C4'-P energy: -143.368
bonds (distance) P-C4' energy: -117.365
flat angles C4'-P-C4' energy: -142.606
flat angles P-C4'-P energy: -84.701
tors. eta vs tors. theta energy: -115.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1303.296184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.296184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.296184 (E_RNA)
where:
Base-Base interactions energy: -812.998
where: short stacking energy: -387.123
Base-Backbone interact. energy: 2.059
local terms energy: -492.357837
where:
bonds (distance) C4'-P energy: -107.414
bonds (distance) P-C4' energy: -123.103
flat angles C4'-P-C4' energy: -130.755
flat angles P-C4'-P energy: -61.393
tors. eta vs tors. theta energy: -69.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -972.223937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.223937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.223937 (E_RNA)
where:
Base-Base interactions energy: -542.310
where: short stacking energy: -281.678
Base-Backbone interact. energy: 5.049
local terms energy: -434.962522
where:
bonds (distance) C4'-P energy: -113.191
bonds (distance) P-C4' energy: -136.813
flat angles C4'-P-C4' energy: -95.387
flat angles P-C4'-P energy: -70.426
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -549.204590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.204590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.204590 (E_RNA)
where:
Base-Base interactions energy: -175.218
where: short stacking energy: -147.362
Base-Backbone interact. energy: -1.660
local terms energy: -372.326959
where:
bonds (distance) C4'-P energy: -128.864
bonds (distance) P-C4' energy: -132.891
flat angles C4'-P-C4' energy: -86.211
flat angles P-C4'-P energy: -52.240
tors. eta vs tors. theta energy: 27.881
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: 340
Temperature: 0.900000
Total energy: -2669.516101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.516101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.516101 (E_RNA)
where:
Base-Base interactions energy: -1833.570
where: short stacking energy: -792.884
Base-Backbone interact. energy: 0.981
local terms energy: -836.927158
where:
bonds (distance) C4'-P energy: -160.531
bonds (distance) P-C4' energy: -151.397
flat angles C4'-P-C4' energy: -179.913
flat angles P-C4'-P energy: -104.801
tors. eta vs tors. theta energy: -240.285
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: 2, replica: 2
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2577.208080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.208080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.208080 (E_RNA)
where:
Base-Base interactions energy: -1753.241
where: short stacking energy: -713.103
Base-Backbone interact. energy: -2.768
local terms energy: -821.199153
where:
bonds (distance) C4'-P energy: -158.187
bonds (distance) P-C4' energy: -152.811
flat angles C4'-P-C4' energy: -172.845
flat angles P-C4'-P energy: -113.781
tors. eta vs tors. theta energy: -223.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -2367.900540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.900540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.900540 (E_RNA)
where:
Base-Base interactions energy: -1623.748
where: short stacking energy: -693.342
Base-Backbone interact. energy: -1.758
local terms energy: -742.394783
where:
bonds (distance) C4'-P energy: -117.233
bonds (distance) P-C4' energy: -152.076
flat angles C4'-P-C4' energy: -170.134
flat angles P-C4'-P energy: -103.218
tors. eta vs tors. theta energy: -199.734
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: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -2326.988736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.988736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.988736 (E_RNA)
where:
Base-Base interactions energy: -1603.382
where: short stacking energy: -669.277
Base-Backbone interact. energy: -2.001
local terms energy: -721.605986
where:
bonds (distance) C4'-P energy: -130.219
bonds (distance) P-C4' energy: -150.527
flat angles C4'-P-C4' energy: -158.201
flat angles P-C4'-P energy: -94.469
tors. eta vs tors. theta energy: -188.190
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: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -2157.322454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.322454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.322454 (E_RNA)
where:
Base-Base interactions energy: -1471.255
where: short stacking energy: -613.833
Base-Backbone interact. energy: -0.677
local terms energy: -685.391281
where:
bonds (distance) C4'-P energy: -139.911
bonds (distance) P-C4' energy: -134.835
flat angles C4'-P-C4' energy: -151.344
flat angles P-C4'-P energy: -91.679
tors. eta vs tors. theta energy: -167.622
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: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1964.866737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.866737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.866737 (E_RNA)
where:
Base-Base interactions energy: -1306.578
where: short stacking energy: -576.861
Base-Backbone interact. energy: -0.822
local terms energy: -657.467315
where:
bonds (distance) C4'-P energy: -144.804
bonds (distance) P-C4' energy: -126.516
flat angles C4'-P-C4' energy: -135.527
flat angles P-C4'-P energy: -85.591
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: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1610.207367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.207367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.207367 (E_RNA)
where:
Base-Base interactions energy: -1039.449
where: short stacking energy: -434.281
Base-Backbone interact. energy: -0.662
local terms energy: -570.096117
where:
bonds (distance) C4'-P energy: -132.591
bonds (distance) P-C4' energy: -137.153
flat angles C4'-P-C4' energy: -116.965
flat angles P-C4'-P energy: -79.143
tors. eta vs tors. theta energy: -104.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1272.860878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.860878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.860878 (E_RNA)
where:
Base-Base interactions energy: -778.642
where: short stacking energy: -363.675
Base-Backbone interact. energy: 8.509
local terms energy: -502.727967
where:
bonds (distance) C4'-P energy: -127.388
bonds (distance) P-C4' energy: -113.236
flat angles C4'-P-C4' energy: -120.497
flat angles P-C4'-P energy: -84.035
tors. eta vs tors. theta energy: -57.572
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: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -974.383946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.383946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.383946 (E_RNA)
where:
Base-Base interactions energy: -527.491
where: short stacking energy: -276.716
Base-Backbone interact. energy: -1.964
local terms energy: -444.929131
where:
bonds (distance) C4'-P energy: -137.908
bonds (distance) P-C4' energy: -118.890
flat angles C4'-P-C4' energy: -100.103
flat angles P-C4'-P energy: -63.480
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: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -555.009476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.009476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.009476 (E_RNA)
where:
Base-Base interactions energy: -194.518
where: short stacking energy: -160.521
Base-Backbone interact. energy: 5.741
local terms energy: -366.233112
where:
bonds (distance) C4'-P energy: -104.485
bonds (distance) P-C4' energy: -132.226
flat angles C4'-P-C4' energy: -93.798
flat angles P-C4'-P energy: -70.012
tors. eta vs tors. theta energy: 34.288
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: 341
Temperature: 0.900000
Total energy: -2630.669064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2630.669064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2630.669064 (E_RNA)
where:
Base-Base interactions energy: -1795.245
where: short stacking energy: -787.693
Base-Backbone interact. energy: -1.959
local terms energy: -833.464665
where:
bonds (distance) C4'-P energy: -140.586
bonds (distance) P-C4' energy: -151.244
flat angles C4'-P-C4' energy: -173.149
flat angles P-C4'-P energy: -111.481
tors. eta vs tors. theta energy: -257.005
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: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2567.929560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.929560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.929560 (E_RNA)
where:
Base-Base interactions energy: -1759.609
where: short stacking energy: -750.474
Base-Backbone interact. energy: -5.766
local terms energy: -802.554250
where:
bonds (distance) C4'-P energy: -151.010
bonds (distance) P-C4' energy: -151.578
flat angles C4'-P-C4' energy: -161.169
flat angles P-C4'-P energy: -106.084
tors. eta vs tors. theta energy: -232.714
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: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -2400.760503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2400.760503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2400.760503 (E_RNA)
where:
Base-Base interactions energy: -1652.812
where: short stacking energy: -679.583
Base-Backbone interact. energy: 2.377
local terms energy: -750.325714
where:
bonds (distance) C4'-P energy: -130.963
bonds (distance) P-C4' energy: -146.461
flat angles C4'-P-C4' energy: -153.218
flat angles P-C4'-P energy: -115.709
tors. eta vs tors. theta energy: -203.975
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: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -2328.426065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.426065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.426065 (E_RNA)
where:
Base-Base interactions energy: -1575.844
where: short stacking energy: -648.832
Base-Backbone interact. energy: 0.732
local terms energy: -753.313612
where:
bonds (distance) C4'-P energy: -142.595
bonds (distance) P-C4' energy: -143.477
flat angles C4'-P-C4' energy: -163.007
flat angles P-C4'-P energy: -104.688
tors. eta vs tors. theta energy: -199.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -2117.973825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.973825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.973825 (E_RNA)
where:
Base-Base interactions energy: -1420.958
where: short stacking energy: -596.796
Base-Backbone interact. energy: -3.645
local terms energy: -693.371231
where:
bonds (distance) C4'-P energy: -138.022
bonds (distance) P-C4' energy: -131.877
flat angles C4'-P-C4' energy: -153.556
flat angles P-C4'-P energy: -95.437
tors. eta vs tors. theta energy: -174.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1953.951908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.951908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.951908 (E_RNA)
where:
Base-Base interactions energy: -1330.914
where: short stacking energy: -582.200
Base-Backbone interact. energy: -1.326
local terms energy: -621.711909
where:
bonds (distance) C4'-P energy: -112.313
bonds (distance) P-C4' energy: -124.842
flat angles C4'-P-C4' energy: -149.247
flat angles P-C4'-P energy: -91.285
tors. eta vs tors. theta energy: -144.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1608.732092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.732092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.732092 (E_RNA)
where:
Base-Base interactions energy: -1037.940
where: short stacking energy: -432.275
Base-Backbone interact. energy: -1.472
local terms energy: -569.320130
where:
bonds (distance) C4'-P energy: -116.450
bonds (distance) P-C4' energy: -135.410
flat angles C4'-P-C4' energy: -140.669
flat angles P-C4'-P energy: -76.085
tors. eta vs tors. theta energy: -100.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1278.653206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.653206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.653206 (E_RNA)
where:
Base-Base interactions energy: -780.935
where: short stacking energy: -358.386
Base-Backbone interact. energy: -2.339
local terms energy: -495.378740
where:
bonds (distance) C4'-P energy: -128.888
bonds (distance) P-C4' energy: -121.758
flat angles C4'-P-C4' energy: -113.835
flat angles P-C4'-P energy: -71.422
tors. eta vs tors. theta energy: -59.476
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: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -919.019715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.019715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.019715 (E_RNA)
where:
Base-Base interactions energy: -496.156
where: short stacking energy: -253.194
Base-Backbone interact. energy: 6.965
local terms energy: -429.828481
where:
bonds (distance) C4'-P energy: -114.713
bonds (distance) P-C4' energy: -137.194
flat angles C4'-P-C4' energy: -116.387
flat angles P-C4'-P energy: -52.169
tors. eta vs tors. theta energy: -9.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -564.877699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.877699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.877699 (E_RNA)
where:
Base-Base interactions energy: -201.568
where: short stacking energy: -155.636
Base-Backbone interact. energy: -1.276
local terms energy: -362.033331
where:
bonds (distance) C4'-P energy: -124.356
bonds (distance) P-C4' energy: -107.251
flat angles C4'-P-C4' energy: -115.662
flat angles P-C4'-P energy: -56.472
tors. eta vs tors. theta energy: 41.708
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: 342
Temperature: 0.900000
Total energy: -2665.763420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.763420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.763420 (E_RNA)
where:
Base-Base interactions energy: -1824.959
where: short stacking energy: -791.273
Base-Backbone interact. energy: -3.080
local terms energy: -837.724631
where:
bonds (distance) C4'-P energy: -152.682
bonds (distance) P-C4' energy: -150.246
flat angles C4'-P-C4' energy: -171.648
flat angles P-C4'-P energy: -118.962
tors. eta vs tors. theta energy: -244.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2574.241963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2574.241963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2574.241963 (E_RNA)
where:
Base-Base interactions energy: -1769.686
where: short stacking energy: -753.146
Base-Backbone interact. energy: -1.592
local terms energy: -802.964065
where:
bonds (distance) C4'-P energy: -150.907
bonds (distance) P-C4' energy: -139.354
flat angles C4'-P-C4' energy: -175.977
flat angles P-C4'-P energy: -108.613
tors. eta vs tors. theta energy: -228.114
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: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -2412.764269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2412.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2412.764269 (E_RNA)
where:
Base-Base interactions energy: -1650.886
where: short stacking energy: -671.365
Base-Backbone interact. energy: 0.426
local terms energy: -762.304505
where:
bonds (distance) C4'-P energy: -138.504
bonds (distance) P-C4' energy: -158.182
flat angles C4'-P-C4' energy: -153.479
flat angles P-C4'-P energy: -104.645
tors. eta vs tors. theta energy: -207.495
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -2329.825824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.825824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.825824 (E_RNA)
where:
Base-Base interactions energy: -1565.300
where: short stacking energy: -652.737
Base-Backbone interact. energy: 0.238
local terms energy: -764.763235
where:
bonds (distance) C4'-P energy: -138.959
bonds (distance) P-C4' energy: -136.510
flat angles C4'-P-C4' energy: -174.601
flat angles P-C4'-P energy: -114.146
tors. eta vs tors. theta energy: -200.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -2149.928304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.928304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.928304 (E_RNA)
where:
Base-Base interactions energy: -1440.847
where: short stacking energy: -601.308
Base-Backbone interact. energy: 1.906
local terms energy: -710.987119
where:
bonds (distance) C4'-P energy: -118.258
bonds (distance) P-C4' energy: -159.145
flat angles C4'-P-C4' energy: -149.916
flat angles P-C4'-P energy: -98.197
tors. eta vs tors. theta energy: -185.471
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: 10
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -2008.444815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.444815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.444815 (E_RNA)
where:
Base-Base interactions energy: -1348.340
where: short stacking energy: -614.910
Base-Backbone interact. energy: 4.567
local terms energy: -664.671754
where:
bonds (distance) C4'-P energy: -102.705
bonds (distance) P-C4' energy: -143.797
flat angles C4'-P-C4' energy: -152.422
flat angles P-C4'-P energy: -84.154
tors. eta vs tors. theta energy: -181.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1598.027393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.027393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.027393 (E_RNA)
where:
Base-Base interactions energy: -1016.462
where: short stacking energy: -438.310
Base-Backbone interact. energy: 0.308
local terms energy: -581.873729
where:
bonds (distance) C4'-P energy: -126.859
bonds (distance) P-C4' energy: -140.075
flat angles C4'-P-C4' energy: -140.388
flat angles P-C4'-P energy: -82.451
tors. eta vs tors. theta energy: -92.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1248.766298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.766298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.766298 (E_RNA)
where:
Base-Base interactions energy: -730.686
where: short stacking energy: -344.279
Base-Backbone interact. energy: -1.088
local terms energy: -516.992150
where:
bonds (distance) C4'-P energy: -121.786
bonds (distance) P-C4' energy: -127.136
flat angles C4'-P-C4' energy: -126.627
flat angles P-C4'-P energy: -83.528
tors. eta vs tors. theta energy: -57.916
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: 9, replica: 7
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1082.083041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.083041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.083041 (E_RNA)
where:
Base-Base interactions energy: -639.021
where: short stacking energy: -289.910
Base-Backbone interact. energy: 3.358
local terms energy: -446.420616
where:
bonds (distance) C4'-P energy: -120.270
bonds (distance) P-C4' energy: -119.182
flat angles C4'-P-C4' energy: -125.173
flat angles P-C4'-P energy: -60.491
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: 1
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -583.758179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.758179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.758179 (E_RNA)
where:
Base-Base interactions energy: -210.397
where: short stacking energy: -142.794
Base-Backbone interact. energy: -1.711
local terms energy: -371.650488
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -133.929
flat angles C4'-P-C4' energy: -105.997
flat angles P-C4'-P energy: -64.021
tors. eta vs tors. theta energy: 36.569
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: 343
Temperature: 0.900000
Total energy: -2671.365285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.365285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.365285 (E_RNA)
where:
Base-Base interactions energy: -1817.203
where: short stacking energy: -779.721
Base-Backbone interact. energy: 0.141
local terms energy: -854.302839
where:
bonds (distance) C4'-P energy: -165.397
bonds (distance) P-C4' energy: -149.218
flat angles C4'-P-C4' energy: -179.919
flat angles P-C4'-P energy: -109.391
tors. eta vs tors. theta energy: -250.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2619.608149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2619.608149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2619.608149 (E_RNA)
where:
Base-Base interactions energy: -1790.827
where: short stacking energy: -757.002
Base-Backbone interact. energy: -3.497
local terms energy: -825.284112
where:
bonds (distance) C4'-P energy: -138.797
bonds (distance) P-C4' energy: -154.085
flat angles C4'-P-C4' energy: -175.789
flat angles P-C4'-P energy: -116.628
tors. eta vs tors. theta energy: -239.985
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: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -2451.439539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.439539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.439539 (E_RNA)
where:
Base-Base interactions energy: -1696.669
where: short stacking energy: -689.823
Base-Backbone interact. energy: -1.407
local terms energy: -753.363875
where:
bonds (distance) C4'-P energy: -140.149
bonds (distance) P-C4' energy: -138.108
flat angles C4'-P-C4' energy: -158.243
flat angles P-C4'-P energy: -98.425
tors. eta vs tors. theta energy: -218.439
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: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -2366.352177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2366.352177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2366.352177 (E_RNA)
where:
Base-Base interactions energy: -1645.870
where: short stacking energy: -673.590
Base-Backbone interact. energy: 0.804
local terms energy: -721.285683
where:
bonds (distance) C4'-P energy: -134.987
bonds (distance) P-C4' energy: -129.200
flat angles C4'-P-C4' energy: -160.367
flat angles P-C4'-P energy: -91.288
tors. eta vs tors. theta energy: -205.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -2131.570957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.570957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.570957 (E_RNA)
where:
Base-Base interactions energy: -1452.712
where: short stacking energy: -593.196
Base-Backbone interact. energy: 4.788
local terms energy: -683.647459
where:
bonds (distance) C4'-P energy: -128.550
bonds (distance) P-C4' energy: -124.067
flat angles C4'-P-C4' energy: -157.365
flat angles P-C4'-P energy: -100.745
tors. eta vs tors. theta energy: -172.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1985.749309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.749309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.749309 (E_RNA)
where:
Base-Base interactions energy: -1306.262
where: short stacking energy: -570.891
Base-Backbone interact. energy: -1.675
local terms energy: -677.812575
where:
bonds (distance) C4'-P energy: -134.911
bonds (distance) P-C4' energy: -147.638
flat angles C4'-P-C4' energy: -152.500
flat angles P-C4'-P energy: -77.975
tors. eta vs tors. theta energy: -164.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1565.610088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.610088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.610088 (E_RNA)
where:
Base-Base interactions energy: -1014.150
where: short stacking energy: -436.879
Base-Backbone interact. energy: 1.823
local terms energy: -553.282626
where:
bonds (distance) C4'-P energy: -104.279
bonds (distance) P-C4' energy: -137.565
flat angles C4'-P-C4' energy: -134.201
flat angles P-C4'-P energy: -73.044
tors. eta vs tors. theta energy: -104.194
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: 4
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1342.924502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.924502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.924502 (E_RNA)
where:
Base-Base interactions energy: -779.766
where: short stacking energy: -382.055
Base-Backbone interact. energy: -3.383
local terms energy: -559.775227
where:
bonds (distance) C4'-P energy: -117.361
bonds (distance) P-C4' energy: -142.513
flat angles C4'-P-C4' energy: -131.794
flat angles P-C4'-P energy: -83.326
tors. eta vs tors. theta energy: -84.781
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: 7
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1076.535713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.535713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.535713 (E_RNA)
where:
Base-Base interactions energy: -647.009
where: short stacking energy: -302.684
Base-Backbone interact. energy: 3.139
local terms energy: -432.665862
where:
bonds (distance) C4'-P energy: -118.657
bonds (distance) P-C4' energy: -105.181
flat angles C4'-P-C4' energy: -128.603
flat angles P-C4'-P energy: -60.027
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: 1
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -606.440195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.440195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.440195 (E_RNA)
where:
Base-Base interactions energy: -231.615
where: short stacking energy: -175.614
Base-Backbone interact. energy: 1.504
local terms energy: -376.328349
where:
bonds (distance) C4'-P energy: -102.693
bonds (distance) P-C4' energy: -127.851
flat angles C4'-P-C4' energy: -105.348
flat angles P-C4'-P energy: -61.988
tors. eta vs tors. theta energy: 21.552
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: 344
Temperature: 0.900000
Total energy: -2689.165387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.165387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.165387 (E_RNA)
where:
Base-Base interactions energy: -1843.966
where: short stacking energy: -787.822
Base-Backbone interact. energy: -2.198
local terms energy: -843.001797
where:
bonds (distance) C4'-P energy: -144.945
bonds (distance) P-C4' energy: -159.077
flat angles C4'-P-C4' energy: -162.217
flat angles P-C4'-P energy: -119.240
tors. eta vs tors. theta energy: -257.523
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: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2586.024265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2586.024265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2586.024265 (E_RNA)
where:
Base-Base interactions energy: -1774.347
where: short stacking energy: -739.906
Base-Backbone interact. energy: -0.395
local terms energy: -811.281694
where:
bonds (distance) C4'-P energy: -140.842
bonds (distance) P-C4' energy: -146.671
flat angles C4'-P-C4' energy: -178.284
flat angles P-C4'-P energy: -115.818
tors. eta vs tors. theta energy: -229.667
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: 344
Temperature: 1.000000
Total energy: -2429.915671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.915671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.915671 (E_RNA)
where:
Base-Base interactions energy: -1671.501
where: short stacking energy: -684.954
Base-Backbone interact. energy: -5.354
local terms energy: -753.061453
where:
bonds (distance) C4'-P energy: -143.919
bonds (distance) P-C4' energy: -123.575
flat angles C4'-P-C4' energy: -165.942
flat angles P-C4'-P energy: -106.690
tors. eta vs tors. theta energy: -212.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -2380.081651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.081651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.081651 (E_RNA)
where:
Base-Base interactions energy: -1654.515
where: short stacking energy: -666.446
Base-Backbone interact. energy: -0.757
local terms energy: -724.810086
where:
bonds (distance) C4'-P energy: -141.561
bonds (distance) P-C4' energy: -125.256
flat angles C4'-P-C4' energy: -160.122
flat angles P-C4'-P energy: -91.384
tors. eta vs tors. theta energy: -206.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -2132.512028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.512028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.512028 (E_RNA)
where:
Base-Base interactions energy: -1424.489
where: short stacking energy: -597.571
Base-Backbone interact. energy: -0.150
local terms energy: -707.872695
where:
bonds (distance) C4'-P energy: -149.989
bonds (distance) P-C4' energy: -148.887
flat angles C4'-P-C4' energy: -156.124
flat angles P-C4'-P energy: -83.960
tors. eta vs tors. theta energy: -168.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -2021.925252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.925252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.925252 (E_RNA)
where:
Base-Base interactions energy: -1350.085
where: short stacking energy: -579.019
Base-Backbone interact. energy: 2.295
local terms energy: -674.134740
where:
bonds (distance) C4'-P energy: -134.831
bonds (distance) P-C4' energy: -141.501
flat angles C4'-P-C4' energy: -152.491
flat angles P-C4'-P energy: -93.990
tors. eta vs tors. theta energy: -151.322
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: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1592.853676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.853676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.853676 (E_RNA)
where:
Base-Base interactions energy: -1006.172
where: short stacking energy: -446.345
Base-Backbone interact. energy: -1.667
local terms energy: -585.014259
where:
bonds (distance) C4'-P energy: -148.850
bonds (distance) P-C4' energy: -122.701
flat angles C4'-P-C4' energy: -136.418
flat angles P-C4'-P energy: -91.387
tors. eta vs tors. theta energy: -85.658
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: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1306.581720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.581720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.581720 (E_RNA)
where:
Base-Base interactions energy: -822.978
where: short stacking energy: -365.605
Base-Backbone interact. energy: 3.364
local terms energy: -486.966974
where:
bonds (distance) C4'-P energy: -122.075
bonds (distance) P-C4' energy: -118.661
flat angles C4'-P-C4' energy: -125.582
flat angles P-C4'-P energy: -62.826
tors. eta vs tors. theta energy: -57.823
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: 9, replica: 7
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1128.714218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.714218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.714218 (E_RNA)
where:
Base-Base interactions energy: -672.418
where: short stacking energy: -323.258
Base-Backbone interact. energy: -1.288
local terms energy: -455.008486
where:
bonds (distance) C4'-P energy: -112.694
bonds (distance) P-C4' energy: -129.036
flat angles C4'-P-C4' energy: -116.001
flat angles P-C4'-P energy: -53.023
tors. eta vs tors. theta energy: -44.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -577.092988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.092988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.092988 (E_RNA)
where:
Base-Base interactions energy: -211.596
where: short stacking energy: -143.229
Base-Backbone interact. energy: -4.167
local terms energy: -361.330628
where:
bonds (distance) C4'-P energy: -120.225
bonds (distance) P-C4' energy: -136.136
flat angles C4'-P-C4' energy: -76.423
flat angles P-C4'-P energy: -58.120
tors. eta vs tors. theta energy: 29.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2681.935018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.935018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.935018 (E_RNA)
where:
Base-Base interactions energy: -1822.504
where: short stacking energy: -796.610
Base-Backbone interact. energy: -1.514
local terms energy: -857.916505
where:
bonds (distance) C4'-P energy: -153.338
bonds (distance) P-C4' energy: -141.867
flat angles C4'-P-C4' energy: -182.683
flat angles P-C4'-P energy: -127.147
tors. eta vs tors. theta energy: -252.882
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2550.286395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.286395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.286395 (E_RNA)
where:
Base-Base interactions energy: -1751.865
where: short stacking energy: -715.758
Base-Backbone interact. energy: -3.462
local terms energy: -794.959375
where:
bonds (distance) C4'-P energy: -150.217
bonds (distance) P-C4' energy: -155.381
flat angles C4'-P-C4' energy: -172.935
flat angles P-C4'-P energy: -98.554
tors. eta vs tors. theta energy: -217.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -2398.069740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.069740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.069740 (E_RNA)
where:
Base-Base interactions energy: -1597.359
where: short stacking energy: -678.367
Base-Backbone interact. energy: -2.451
local terms energy: -798.259573
where:
bonds (distance) C4'-P energy: -138.322
bonds (distance) P-C4' energy: -154.681
flat angles C4'-P-C4' energy: -174.121
flat angles P-C4'-P energy: -123.095
tors. eta vs tors. theta energy: -208.041
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: 8
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -2337.245457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.245457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.245457 (E_RNA)
where:
Base-Base interactions energy: -1616.343
where: short stacking energy: -631.464
Base-Backbone interact. energy: -3.317
local terms energy: -717.585345
where:
bonds (distance) C4'-P energy: -133.898
bonds (distance) P-C4' energy: -132.120
flat angles C4'-P-C4' energy: -148.486
flat angles P-C4'-P energy: -103.916
tors. eta vs tors. theta energy: -199.165
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: 9
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -2114.506958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.506958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.506958 (E_RNA)
where:
Base-Base interactions energy: -1427.754
where: short stacking energy: -584.450
Base-Backbone interact. energy: -0.196
local terms energy: -686.557075
where:
bonds (distance) C4'-P energy: -150.034
bonds (distance) P-C4' energy: -134.758
flat angles C4'-P-C4' energy: -142.335
flat angles P-C4'-P energy: -86.274
tors. eta vs tors. theta energy: -173.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1955.899296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.899296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.899296 (E_RNA)
where:
Base-Base interactions energy: -1290.757
where: short stacking energy: -541.690
Base-Backbone interact. energy: 1.174
local terms energy: -666.316671
where:
bonds (distance) C4'-P energy: -142.114
bonds (distance) P-C4' energy: -110.878
flat angles C4'-P-C4' energy: -149.395
flat angles P-C4'-P energy: -109.827
tors. eta vs tors. theta energy: -154.103
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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1615.072401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.072401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.072401 (E_RNA)
where:
Base-Base interactions energy: -1046.038
where: short stacking energy: -480.745
Base-Backbone interact. energy: -3.773
local terms energy: -565.261139
where:
bonds (distance) C4'-P energy: -107.877
bonds (distance) P-C4' energy: -135.210
flat angles C4'-P-C4' energy: -138.545
flat angles P-C4'-P energy: -68.159
tors. eta vs tors. theta energy: -115.471
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: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1336.323934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.323934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.323934 (E_RNA)
where:
Base-Base interactions energy: -854.596
where: short stacking energy: -365.078
Base-Backbone interact. energy: 0.349
local terms energy: -482.076614
where:
bonds (distance) C4'-P energy: -111.490
bonds (distance) P-C4' energy: -112.895
flat angles C4'-P-C4' energy: -114.710
flat angles P-C4'-P energy: -83.560
tors. eta vs tors. theta energy: -59.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1096.540944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.540944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.540944 (E_RNA)
where:
Base-Base interactions energy: -616.917
where: short stacking energy: -303.878
Base-Backbone interact. energy: 0.596
local terms energy: -480.219396
where:
bonds (distance) C4'-P energy: -125.501
bonds (distance) P-C4' energy: -133.773
flat angles C4'-P-C4' energy: -109.931
flat angles P-C4'-P energy: -68.747
tors. eta vs tors. theta energy: -42.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -583.818288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.818288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.818288 (E_RNA)
where:
Base-Base interactions energy: -196.483
where: short stacking energy: -143.359
Base-Backbone interact. energy: -0.064
local terms energy: -387.271837
where:
bonds (distance) C4'-P energy: -117.579
bonds (distance) P-C4' energy: -133.071
flat angles C4'-P-C4' energy: -109.701
flat angles P-C4'-P energy: -51.387
tors. eta vs tors. theta energy: 24.465
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: 346
Temperature: 0.900000
Total energy: -2660.102637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.102637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.102637 (E_RNA)
where:
Base-Base interactions energy: -1832.527
where: short stacking energy: -784.808
Base-Backbone interact. energy: 1.408
local terms energy: -828.983407
where:
bonds (distance) C4'-P energy: -153.097
bonds (distance) P-C4' energy: -148.432
flat angles C4'-P-C4' energy: -180.566
flat angles P-C4'-P energy: -119.426
tors. eta vs tors. theta energy: -227.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -2591.344534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.344534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.344534 (E_RNA)
where:
Base-Base interactions energy: -1802.882
where: short stacking energy: -747.843
Base-Backbone interact. energy: -1.471
local terms energy: -786.991929
where:
bonds (distance) C4'-P energy: -119.338
bonds (distance) P-C4' energy: -147.879
flat angles C4'-P-C4' energy: -167.066
flat angles P-C4'-P energy: -121.709
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: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -2402.529648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2402.529648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2402.529648 (E_RNA)
where:
Base-Base interactions energy: -1631.774
where: short stacking energy: -686.539
Base-Backbone interact. energy: -0.966
local terms energy: -769.789900
where:
bonds (distance) C4'-P energy: -142.720
bonds (distance) P-C4' energy: -144.512
flat angles C4'-P-C4' energy: -168.819
flat angles P-C4'-P energy: -101.667
tors. eta vs tors. theta energy: -212.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -2325.130399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.130399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.130399 (E_RNA)
where:
Base-Base interactions energy: -1615.272
where: short stacking energy: -657.834
Base-Backbone interact. energy: -2.097
local terms energy: -707.761444
where:
bonds (distance) C4'-P energy: -123.129
bonds (distance) P-C4' energy: -129.851
flat angles C4'-P-C4' energy: -164.801
flat angles P-C4'-P energy: -91.818
tors. eta vs tors. theta energy: -198.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -2110.441403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.441403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.441403 (E_RNA)
where:
Base-Base interactions energy: -1419.678
where: short stacking energy: -610.476
Base-Backbone interact. energy: -4.207
local terms energy: -686.556214
where:
bonds (distance) C4'-P energy: -132.248
bonds (distance) P-C4' energy: -141.793
flat angles C4'-P-C4' energy: -148.137
flat angles P-C4'-P energy: -90.528
tors. eta vs tors. theta energy: -173.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1931.139829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.139829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.139829 (E_RNA)
where:
Base-Base interactions energy: -1249.009
where: short stacking energy: -556.257
Base-Backbone interact. energy: 3.980
local terms energy: -686.110192
where:
bonds (distance) C4'-P energy: -135.362
bonds (distance) P-C4' energy: -153.818
flat angles C4'-P-C4' energy: -146.907
flat angles P-C4'-P energy: -103.983
tors. eta vs tors. theta energy: -146.041
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: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1644.277708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.277708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.277708 (E_RNA)
where:
Base-Base interactions energy: -1064.771
where: short stacking energy: -471.427
Base-Backbone interact. energy: -1.293
local terms energy: -578.214183
where:
bonds (distance) C4'-P energy: -120.661
bonds (distance) P-C4' energy: -133.670
flat angles C4'-P-C4' energy: -130.010
flat angles P-C4'-P energy: -73.231
tors. eta vs tors. theta energy: -120.643
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: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1308.619786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.619786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.619786 (E_RNA)
where:
Base-Base interactions energy: -828.174
where: short stacking energy: -377.271
Base-Backbone interact. energy: -2.252
local terms energy: -478.194121
where:
bonds (distance) C4'-P energy: -125.576
bonds (distance) P-C4' energy: -119.959
flat angles C4'-P-C4' energy: -90.630
flat angles P-C4'-P energy: -86.897
tors. eta vs tors. theta energy: -55.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1053.657791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.657791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.657791 (E_RNA)
where:
Base-Base interactions energy: -617.306
where: short stacking energy: -315.040
Base-Backbone interact. energy: 2.666
local terms energy: -439.018215
where:
bonds (distance) C4'-P energy: -117.392
bonds (distance) P-C4' energy: -123.262
flat angles C4'-P-C4' energy: -110.207
flat angles P-C4'-P energy: -59.622
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: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -577.918173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.918173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.918173 (E_RNA)
where:
Base-Base interactions energy: -205.170
where: short stacking energy: -167.341
Base-Backbone interact. energy: -1.804
local terms energy: -370.944684
where:
bonds (distance) C4'-P energy: -114.757
bonds (distance) P-C4' energy: -129.308
flat angles C4'-P-C4' energy: -93.326
flat angles P-C4'-P energy: -70.361
tors. eta vs tors. theta energy: 36.808
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: 347
Temperature: 0.900000
Total energy: -2675.902478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.902478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.902478 (E_RNA)
where:
Base-Base interactions energy: -1837.754
where: short stacking energy: -782.460
Base-Backbone interact. energy: 1.844
local terms energy: -839.992512
where:
bonds (distance) C4'-P energy: -172.593
bonds (distance) P-C4' energy: -140.594
flat angles C4'-P-C4' energy: -165.150
flat angles P-C4'-P energy: -117.917
tors. eta vs tors. theta energy: -243.740
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: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -2595.409568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.409568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.409568 (E_RNA)
where:
Base-Base interactions energy: -1779.776
where: short stacking energy: -728.016
Base-Backbone interact. energy: -4.040
local terms energy: -811.593057
where:
bonds (distance) C4'-P energy: -155.679
bonds (distance) P-C4' energy: -155.671
flat angles C4'-P-C4' energy: -153.119
flat angles P-C4'-P energy: -124.896
tors. eta vs tors. theta energy: -222.229
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: 3, replica: 8
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -2398.937814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2398.937814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2398.937814 (E_RNA)
where:
Base-Base interactions energy: -1639.520
where: short stacking energy: -689.833
Base-Backbone interact. energy: -6.293
local terms energy: -753.124613
where:
bonds (distance) C4'-P energy: -134.382
bonds (distance) P-C4' energy: -142.897
flat angles C4'-P-C4' energy: -138.897
flat angles P-C4'-P energy: -110.625
tors. eta vs tors. theta energy: -226.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -2380.972168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2380.972168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2380.972168 (E_RNA)
where:
Base-Base interactions energy: -1632.137
where: short stacking energy: -670.906
Base-Backbone interact. energy: -0.733
local terms energy: -748.101808
where:
bonds (distance) C4'-P energy: -148.612
bonds (distance) P-C4' energy: -135.565
flat angles C4'-P-C4' energy: -175.484
flat angles P-C4'-P energy: -84.680
tors. eta vs tors. theta energy: -203.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -2131.085172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.085172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.085172 (E_RNA)
where:
Base-Base interactions energy: -1445.899
where: short stacking energy: -568.767
Base-Backbone interact. energy: -3.229
local terms energy: -681.956436
where:
bonds (distance) C4'-P energy: -139.596
bonds (distance) P-C4' energy: -126.645
flat angles C4'-P-C4' energy: -153.950
flat angles P-C4'-P energy: -102.471
tors. eta vs tors. theta energy: -159.294
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: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1971.283358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.283358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.283358 (E_RNA)
where:
Base-Base interactions energy: -1340.551
where: short stacking energy: -560.893
Base-Backbone interact. energy: 0.304
local terms energy: -631.037003
where:
bonds (distance) C4'-P energy: -117.255
bonds (distance) P-C4' energy: -114.684
flat angles C4'-P-C4' energy: -146.493
flat angles P-C4'-P energy: -95.406
tors. eta vs tors. theta energy: -157.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1684.020836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.020836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.020836 (E_RNA)
where:
Base-Base interactions energy: -1079.646
where: short stacking energy: -458.349
Base-Backbone interact. energy: -2.023
local terms energy: -602.352202
where:
bonds (distance) C4'-P energy: -123.454
bonds (distance) P-C4' energy: -139.935
flat angles C4'-P-C4' energy: -152.622
flat angles P-C4'-P energy: -77.218
tors. eta vs tors. theta energy: -109.122
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: 347
Temperature: 1.250000
Total energy: -1364.384178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.384178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.384178 (E_RNA)
where:
Base-Base interactions energy: -865.606
where: short stacking energy: -398.622
Base-Backbone interact. energy: -0.694
local terms energy: -498.084005
where:
bonds (distance) C4'-P energy: -102.615
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -125.997
flat angles P-C4'-P energy: -68.868
tors. eta vs tors. theta energy: -74.213
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: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -984.975617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.975617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.975617 (E_RNA)
where:
Base-Base interactions energy: -537.140
where: short stacking energy: -262.946
Base-Backbone interact. energy: -0.139
local terms energy: -447.696650
where:
bonds (distance) C4'-P energy: -133.460
bonds (distance) P-C4' energy: -129.311
flat angles C4'-P-C4' energy: -100.493
flat angles P-C4'-P energy: -67.256
tors. eta vs tors. theta energy: -17.176
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: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -577.058793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.058793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.058793 (E_RNA)
where:
Base-Base interactions energy: -202.589
where: short stacking energy: -171.358
Base-Backbone interact. energy: 5.429
local terms energy: -379.898521
where:
bonds (distance) C4'-P energy: -112.724
bonds (distance) P-C4' energy: -126.499
flat angles C4'-P-C4' energy: -118.745
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: 24.265
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: 5
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2659.679904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.679904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.679904 (E_RNA)
where:
Base-Base interactions energy: -1846.803
where: short stacking energy: -804.073
Base-Backbone interact. energy: 1.473
local terms energy: -814.349733
where:
bonds (distance) C4'-P energy: -127.517
bonds (distance) P-C4' energy: -140.817
flat angles C4'-P-C4' energy: -180.779
flat angles P-C4'-P energy: -117.421
tors. eta vs tors. theta energy: -247.815
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2591.464029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.464029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.464029 (E_RNA)
where:
Base-Base interactions energy: -1809.209
where: short stacking energy: -771.129
Base-Backbone interact. energy: -4.009
local terms energy: -778.245609
where:
bonds (distance) C4'-P energy: -129.634
bonds (distance) P-C4' energy: -153.903
flat angles C4'-P-C4' energy: -156.265
flat angles P-C4'-P energy: -110.560
tors. eta vs tors. theta energy: -227.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -2395.419584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2395.419584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2395.419584 (E_RNA)
where:
Base-Base interactions energy: -1652.177
where: short stacking energy: -690.869
Base-Backbone interact. energy: 5.288
local terms energy: -748.531270
where:
bonds (distance) C4'-P energy: -150.609
bonds (distance) P-C4' energy: -125.222
flat angles C4'-P-C4' energy: -172.438
flat angles P-C4'-P energy: -91.803
tors. eta vs tors. theta energy: -208.459
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: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -2343.834429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.834429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.834429 (E_RNA)
where:
Base-Base interactions energy: -1601.301
where: short stacking energy: -651.296
Base-Backbone interact. energy: -1.587
local terms energy: -740.946515
where:
bonds (distance) C4'-P energy: -153.590
bonds (distance) P-C4' energy: -126.005
flat angles C4'-P-C4' energy: -153.578
flat angles P-C4'-P energy: -111.088
tors. eta vs tors. theta energy: -196.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -2167.452489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.452489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.452489 (E_RNA)
where:
Base-Base interactions energy: -1480.790
where: short stacking energy: -606.536
Base-Backbone interact. energy: -1.889
local terms energy: -684.772976
where:
bonds (distance) C4'-P energy: -124.084
bonds (distance) P-C4' energy: -130.748
flat angles C4'-P-C4' energy: -151.694
flat angles P-C4'-P energy: -93.947
tors. eta vs tors. theta energy: -184.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1954.091599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.091599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.091599 (E_RNA)
where:
Base-Base interactions energy: -1303.674
where: short stacking energy: -570.381
Base-Backbone interact. energy: -1.988
local terms energy: -648.429590
where:
bonds (distance) C4'-P energy: -127.125
bonds (distance) P-C4' energy: -126.762
flat angles C4'-P-C4' energy: -140.296
flat angles P-C4'-P energy: -105.161
tors. eta vs tors. theta energy: -149.086
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: 6
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1666.833694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.833694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.833694 (E_RNA)
where:
Base-Base interactions energy: -1090.741
where: short stacking energy: -469.824
Base-Backbone interact. energy: -0.002
local terms energy: -576.091003
where:
bonds (distance) C4'-P energy: -111.363
bonds (distance) P-C4' energy: -127.993
flat angles C4'-P-C4' energy: -113.729
flat angles P-C4'-P energy: -83.927
tors. eta vs tors. theta energy: -139.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1419.653922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.653922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.653922 (E_RNA)
where:
Base-Base interactions energy: -886.667
where: short stacking energy: -408.146
Base-Backbone interact. energy: -1.137
local terms energy: -531.849807
where:
bonds (distance) C4'-P energy: -133.239
bonds (distance) P-C4' energy: -112.098
flat angles C4'-P-C4' energy: -125.054
flat angles P-C4'-P energy: -78.143
tors. eta vs tors. theta energy: -83.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -944.440530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.440530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.440530 (E_RNA)
where:
Base-Base interactions energy: -515.055
where: short stacking energy: -258.595
Base-Backbone interact. energy: -3.631
local terms energy: -425.753728
where:
bonds (distance) C4'-P energy: -117.890
bonds (distance) P-C4' energy: -118.149
flat angles C4'-P-C4' energy: -112.208
flat angles P-C4'-P energy: -54.602
tors. eta vs tors. theta energy: -22.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -547.937772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.937772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.937772 (E_RNA)
where:
Base-Base interactions energy: -174.929
where: short stacking energy: -146.165
Base-Backbone interact. energy: 2.857
local terms energy: -375.866261
where:
bonds (distance) C4'-P energy: -124.379
bonds (distance) P-C4' energy: -134.776
flat angles C4'-P-C4' energy: -100.393
flat angles P-C4'-P energy: -54.774
tors. eta vs tors. theta energy: 38.455
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: 349
Temperature: 0.900000
Total energy: -2642.477912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2642.477912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2642.477912 (E_RNA)
where:
Base-Base interactions energy: -1786.796
where: short stacking energy: -742.955
Base-Backbone interact. energy: -4.217
local terms energy: -851.464703
where:
bonds (distance) C4'-P energy: -151.131
bonds (distance) P-C4' energy: -170.252
flat angles C4'-P-C4' energy: -179.258
flat angles P-C4'-P energy: -108.504
tors. eta vs tors. theta energy: -242.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -2628.507644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.507644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.507644 (E_RNA)
where:
Base-Base interactions energy: -1812.912
where: short stacking energy: -753.882
Base-Backbone interact. energy: -3.723
local terms energy: -811.872544
where:
bonds (distance) C4'-P energy: -142.998
bonds (distance) P-C4' energy: -161.717
flat angles C4'-P-C4' energy: -167.746
flat angles P-C4'-P energy: -105.228
tors. eta vs tors. theta energy: -234.182
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: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -2416.344155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.344155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.344155 (E_RNA)
where:
Base-Base interactions energy: -1657.602
where: short stacking energy: -681.720
Base-Backbone interact. energy: -1.772
local terms energy: -756.970815
where:
bonds (distance) C4'-P energy: -137.910
bonds (distance) P-C4' energy: -151.819
flat angles C4'-P-C4' energy: -166.707
flat angles P-C4'-P energy: -103.157
tors. eta vs tors. theta energy: -197.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -2292.536294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.536294 (E_RNA)
where:
Base-Base interactions energy: -1574.625
where: short stacking energy: -654.764
Base-Backbone interact. energy: -5.335
local terms energy: -712.576300
where:
bonds (distance) C4'-P energy: -135.242
bonds (distance) P-C4' energy: -130.735
flat angles C4'-P-C4' energy: -146.776
flat angles P-C4'-P energy: -100.540
tors. eta vs tors. theta energy: -199.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -2128.944516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.944516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.944516 (E_RNA)
where:
Base-Base interactions energy: -1451.209
where: short stacking energy: -585.561
Base-Backbone interact. energy: -3.605
local terms energy: -674.130322
where:
bonds (distance) C4'-P energy: -141.754
bonds (distance) P-C4' energy: -138.388
flat angles C4'-P-C4' energy: -145.040
flat angles P-C4'-P energy: -75.306
tors. eta vs tors. theta energy: -173.643
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: 10
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1970.698591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.698591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.698591 (E_RNA)
where:
Base-Base interactions energy: -1330.301
where: short stacking energy: -575.695
Base-Backbone interact. energy: -0.357
local terms energy: -640.040267
where:
bonds (distance) C4'-P energy: -135.638
bonds (distance) P-C4' energy: -125.142
flat angles C4'-P-C4' energy: -141.391
flat angles P-C4'-P energy: -90.614
tors. eta vs tors. theta energy: -147.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1691.530920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.530920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.530920 (E_RNA)
where:
Base-Base interactions energy: -1088.216
where: short stacking energy: -487.975
Base-Backbone interact. energy: 3.201
local terms energy: -606.516052
where:
bonds (distance) C4'-P energy: -119.764
bonds (distance) P-C4' energy: -136.927
flat angles C4'-P-C4' energy: -136.583
flat angles P-C4'-P energy: -93.092
tors. eta vs tors. theta energy: -120.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1410.461126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.461126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.461126 (E_RNA)
where:
Base-Base interactions energy: -877.504
where: short stacking energy: -364.755
Base-Backbone interact. energy: 2.480
local terms energy: -535.437895
where:
bonds (distance) C4'-P energy: -118.879
bonds (distance) P-C4' energy: -142.610
flat angles C4'-P-C4' energy: -127.816
flat angles P-C4'-P energy: -84.231
tors. eta vs tors. theta energy: -61.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -936.731384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.731384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.731384 (E_RNA)
where:
Base-Base interactions energy: -493.984
where: short stacking energy: -244.068
Base-Backbone interact. energy: -4.039
local terms energy: -438.708056
where:
bonds (distance) C4'-P energy: -117.223
bonds (distance) P-C4' energy: -132.560
flat angles C4'-P-C4' energy: -117.104
flat angles P-C4'-P energy: -59.217
tors. eta vs tors. theta energy: -12.605
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: 10, replica: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -568.715321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.715321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.715321 (E_RNA)
where:
Base-Base interactions energy: -196.351
where: short stacking energy: -155.041
Base-Backbone interact. energy: 1.459
local terms energy: -373.823342
where:
bonds (distance) C4'-P energy: -107.016
bonds (distance) P-C4' energy: -129.235
flat angles C4'-P-C4' energy: -96.615
flat angles P-C4'-P energy: -60.127
tors. eta vs tors. theta energy: 19.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2665.608565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.608565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.608565 (E_RNA)
where:
Base-Base interactions energy: -1828.877
where: short stacking energy: -744.311
Base-Backbone interact. energy: -0.680
local terms energy: -836.052106
where:
bonds (distance) C4'-P energy: -155.971
bonds (distance) P-C4' energy: -163.385
flat angles C4'-P-C4' energy: -170.688
flat angles P-C4'-P energy: -111.820
tors. eta vs tors. theta energy: -234.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -2547.722065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2547.722065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2547.722065 (E_RNA)
where:
Base-Base interactions energy: -1743.955
where: short stacking energy: -736.887
Base-Backbone interact. energy: -1.012
local terms energy: -802.755333
where:
bonds (distance) C4'-P energy: -160.091
bonds (distance) P-C4' energy: -142.548
flat angles C4'-P-C4' energy: -172.401
flat angles P-C4'-P energy: -103.257
tors. eta vs tors. theta energy: -224.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -2418.149981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.149981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.149981 (E_RNA)
where:
Base-Base interactions energy: -1649.379
where: short stacking energy: -697.449
Base-Backbone interact. energy: 6.108
local terms energy: -774.878960
where:
bonds (distance) C4'-P energy: -143.646
bonds (distance) P-C4' energy: -137.595
flat angles C4'-P-C4' energy: -186.759
flat angles P-C4'-P energy: -104.454
tors. eta vs tors. theta energy: -202.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -2312.629915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2312.629915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2312.629915 (E_RNA)
where:
Base-Base interactions energy: -1586.282
where: short stacking energy: -621.176
Base-Backbone interact. energy: -6.097
local terms energy: -720.251198
where:
bonds (distance) C4'-P energy: -130.806
bonds (distance) P-C4' energy: -134.594
flat angles C4'-P-C4' energy: -156.383
flat angles P-C4'-P energy: -105.212
tors. eta vs tors. theta energy: -193.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -2108.446369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.446369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.446369 (E_RNA)
where:
Base-Base interactions energy: -1440.237
where: short stacking energy: -604.138
Base-Backbone interact. energy: -4.686
local terms energy: -663.523466
where:
bonds (distance) C4'-P energy: -123.683
bonds (distance) P-C4' energy: -121.113
flat angles C4'-P-C4' energy: -148.350
flat angles P-C4'-P energy: -98.789
tors. eta vs tors. theta energy: -171.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1960.211566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.211566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.211566 (E_RNA)
where:
Base-Base interactions energy: -1289.970
where: short stacking energy: -571.178
Base-Backbone interact. energy: -0.898
local terms energy: -669.343963
where:
bonds (distance) C4'-P energy: -114.865
bonds (distance) P-C4' energy: -139.354
flat angles C4'-P-C4' energy: -138.239
flat angles P-C4'-P energy: -112.087
tors. eta vs tors. theta energy: -164.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1689.452338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.452338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.452338 (E_RNA)
where:
Base-Base interactions energy: -1078.056
where: short stacking energy: -467.642
Base-Backbone interact. energy: 0.849
local terms energy: -612.246168
where:
bonds (distance) C4'-P energy: -118.611
bonds (distance) P-C4' energy: -136.788
flat angles C4'-P-C4' energy: -154.618
flat angles P-C4'-P energy: -61.313
tors. eta vs tors. theta energy: -140.916
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: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1353.737037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.737037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.737037 (E_RNA)
where:
Base-Base interactions energy: -823.544
where: short stacking energy: -394.032
Base-Backbone interact. energy: 1.434
local terms energy: -531.627042
where:
bonds (distance) C4'-P energy: -129.097
bonds (distance) P-C4' energy: -126.597
flat angles C4'-P-C4' energy: -131.354
flat angles P-C4'-P energy: -70.173
tors. eta vs tors. theta energy: -74.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -977.279540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.279540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.279540 (E_RNA)
where:
Base-Base interactions energy: -565.643
where: short stacking energy: -268.436
Base-Backbone interact. energy: -1.875
local terms energy: -409.762409
where:
bonds (distance) C4'-P energy: -97.581
bonds (distance) P-C4' energy: -108.933
flat angles C4'-P-C4' energy: -93.387
flat angles P-C4'-P energy: -72.225
tors. eta vs tors. theta energy: -37.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -544.367208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.367208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.367208 (E_RNA)
where:
Base-Base interactions energy: -194.271
where: short stacking energy: -149.215
Base-Backbone interact. energy: -2.647
local terms energy: -347.449129
where:
bonds (distance) C4'-P energy: -110.414
bonds (distance) P-C4' energy: -124.952
flat angles C4'-P-C4' energy: -97.420
flat angles P-C4'-P energy: -55.919
tors. eta vs tors. theta energy: 41.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2654.892970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2654.892970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2654.892970 (E_RNA)
where:
Base-Base interactions energy: -1837.040
where: short stacking energy: -738.493
Base-Backbone interact. energy: -2.991
local terms energy: -814.861828
where:
bonds (distance) C4'-P energy: -156.779
bonds (distance) P-C4' energy: -147.179
flat angles C4'-P-C4' energy: -171.963
flat angles P-C4'-P energy: -111.041
tors. eta vs tors. theta energy: -227.901
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: 5
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2557.044816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.044816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.044816 (E_RNA)
where:
Base-Base interactions energy: -1761.864
where: short stacking energy: -741.985
Base-Backbone interact. energy: -2.513
local terms energy: -792.667544
where:
bonds (distance) C4'-P energy: -144.950
bonds (distance) P-C4' energy: -148.888
flat angles C4'-P-C4' energy: -165.927
flat angles P-C4'-P energy: -102.777
tors. eta vs tors. theta energy: -230.126
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: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -2374.546323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.546323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.546323 (E_RNA)
where:
Base-Base interactions energy: -1616.859
where: short stacking energy: -681.317
Base-Backbone interact. energy: -3.997
local terms energy: -753.690552
where:
bonds (distance) C4'-P energy: -131.934
bonds (distance) P-C4' energy: -142.739
flat angles C4'-P-C4' energy: -161.813
flat angles P-C4'-P energy: -103.818
tors. eta vs tors. theta energy: -213.386
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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -2361.203551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2361.203551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2361.203551 (E_RNA)
where:
Base-Base interactions energy: -1621.184
where: short stacking energy: -641.968
Base-Backbone interact. energy: -0.075
local terms energy: -739.944043
where:
bonds (distance) C4'-P energy: -147.926
bonds (distance) P-C4' energy: -128.473
flat angles C4'-P-C4' energy: -164.022
flat angles P-C4'-P energy: -97.854
tors. eta vs tors. theta energy: -201.670
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: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -2102.412183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.412183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.412183 (E_RNA)
where:
Base-Base interactions energy: -1398.203
where: short stacking energy: -558.916
Base-Backbone interact. energy: 1.317
local terms energy: -705.525657
where:
bonds (distance) C4'-P energy: -126.533
bonds (distance) P-C4' energy: -132.462
flat angles C4'-P-C4' energy: -153.929
flat angles P-C4'-P energy: -114.835
tors. eta vs tors. theta energy: -177.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -2022.020943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.020943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.020943 (E_RNA)
where:
Base-Base interactions energy: -1375.120
where: short stacking energy: -602.575
Base-Backbone interact. energy: -1.357
local terms energy: -645.544465
where:
bonds (distance) C4'-P energy: -125.160
bonds (distance) P-C4' energy: -120.890
flat angles C4'-P-C4' energy: -137.858
flat angles P-C4'-P energy: -102.472
tors. eta vs tors. theta energy: -159.164
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: 6
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1655.052452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.052452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.052452 (E_RNA)
where:
Base-Base interactions energy: -1049.696
where: short stacking energy: -470.214
Base-Backbone interact. energy: -1.752
local terms energy: -603.604427
where:
bonds (distance) C4'-P energy: -107.125
bonds (distance) P-C4' energy: -135.270
flat angles C4'-P-C4' energy: -153.529
flat angles P-C4'-P energy: -80.274
tors. eta vs tors. theta energy: -127.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1354.623644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.623644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.623644 (E_RNA)
where:
Base-Base interactions energy: -830.016
where: short stacking energy: -361.695
Base-Backbone interact. energy: -0.659
local terms energy: -523.948491
where:
bonds (distance) C4'-P energy: -118.370
bonds (distance) P-C4' energy: -139.864
flat angles C4'-P-C4' energy: -111.810
flat angles P-C4'-P energy: -83.358
tors. eta vs tors. theta energy: -70.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1034.523485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.523485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.523485 (E_RNA)
where:
Base-Base interactions energy: -595.051
where: short stacking energy: -267.885
Base-Backbone interact. energy: -0.272
local terms energy: -439.200467
where:
bonds (distance) C4'-P energy: -122.395
bonds (distance) P-C4' energy: -131.054
flat angles C4'-P-C4' energy: -96.473
flat angles P-C4'-P energy: -52.742
tors. eta vs tors. theta energy: -36.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -549.140433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.140433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.140433 (E_RNA)
where:
Base-Base interactions energy: -172.618
where: short stacking energy: -139.664
Base-Backbone interact. energy: 2.011
local terms energy: -378.533669
where:
bonds (distance) C4'-P energy: -131.843
bonds (distance) P-C4' energy: -128.151
flat angles C4'-P-C4' energy: -99.406
flat angles P-C4'-P energy: -62.945
tors. eta vs tors. theta energy: 43.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2690.375180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.375180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.375180 (E_RNA)
where:
Base-Base interactions energy: -1828.206
where: short stacking energy: -782.111
Base-Backbone interact. energy: -6.000
local terms energy: -856.168520
where:
bonds (distance) C4'-P energy: -163.951
bonds (distance) P-C4' energy: -159.141
flat angles C4'-P-C4' energy: -174.445
flat angles P-C4'-P energy: -122.424
tors. eta vs tors. theta energy: -236.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2564.451632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.451632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.451632 (E_RNA)
where:
Base-Base interactions energy: -1738.132
where: short stacking energy: -770.402
Base-Backbone interact. energy: -2.833
local terms energy: -823.485831
where:
bonds (distance) C4'-P energy: -128.838
bonds (distance) P-C4' energy: -159.859
flat angles C4'-P-C4' energy: -175.537
flat angles P-C4'-P energy: -127.506
tors. eta vs tors. theta energy: -231.746
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: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -2403.078021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2403.078021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2403.078021 (E_RNA)
where:
Base-Base interactions energy: -1643.331
where: short stacking energy: -679.250
Base-Backbone interact. energy: -1.917
local terms energy: -757.829540
where:
bonds (distance) C4'-P energy: -150.601
bonds (distance) P-C4' energy: -140.702
flat angles C4'-P-C4' energy: -158.217
flat angles P-C4'-P energy: -97.677
tors. eta vs tors. theta energy: -210.633
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: 3
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -2351.124339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.124339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.124339 (E_RNA)
where:
Base-Base interactions energy: -1629.650
where: short stacking energy: -673.918
Base-Backbone interact. energy: 0.416
local terms energy: -721.890024
where:
bonds (distance) C4'-P energy: -125.359
bonds (distance) P-C4' energy: -142.406
flat angles C4'-P-C4' energy: -159.060
flat angles P-C4'-P energy: -102.505
tors. eta vs tors. theta energy: -192.561
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: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -2037.000700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.000700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.000700 (E_RNA)
where:
Base-Base interactions energy: -1324.013
where: short stacking energy: -575.851
Base-Backbone interact. energy: -3.086
local terms energy: -709.901785
where:
bonds (distance) C4'-P energy: -146.439
bonds (distance) P-C4' energy: -145.911
flat angles C4'-P-C4' energy: -158.959
flat angles P-C4'-P energy: -101.809
tors. eta vs tors. theta energy: -156.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -2016.820500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.820500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.820500 (E_RNA)
where:
Base-Base interactions energy: -1372.888
where: short stacking energy: -573.994
Base-Backbone interact. energy: 3.832
local terms energy: -647.763665
where:
bonds (distance) C4'-P energy: -102.810
bonds (distance) P-C4' energy: -132.340
flat angles C4'-P-C4' energy: -148.717
flat angles P-C4'-P energy: -96.264
tors. eta vs tors. theta energy: -167.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1654.172948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.172948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.172948 (E_RNA)
where:
Base-Base interactions energy: -1073.638
where: short stacking energy: -485.508
Base-Backbone interact. energy: -1.582
local terms energy: -578.953476
where:
bonds (distance) C4'-P energy: -115.992
bonds (distance) P-C4' energy: -113.360
flat angles C4'-P-C4' energy: -141.779
flat angles P-C4'-P energy: -94.591
tors. eta vs tors. theta energy: -113.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1324.331207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.331207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.331207 (E_RNA)
where:
Base-Base interactions energy: -792.618
where: short stacking energy: -348.254
Base-Backbone interact. energy: 0.303
local terms energy: -532.016052
where:
bonds (distance) C4'-P energy: -130.089
bonds (distance) P-C4' energy: -148.486
flat angles C4'-P-C4' energy: -113.161
flat angles P-C4'-P energy: -86.049
tors. eta vs tors. theta energy: -54.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1008.738370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.738370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.738370 (E_RNA)
where:
Base-Base interactions energy: -602.566
where: short stacking energy: -289.142
Base-Backbone interact. energy: 0.881
local terms energy: -407.052704
where:
bonds (distance) C4'-P energy: -106.671
bonds (distance) P-C4' energy: -101.687
flat angles C4'-P-C4' energy: -113.265
flat angles P-C4'-P energy: -72.567
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -550.353717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.353717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.353717 (E_RNA)
where:
Base-Base interactions energy: -180.718
where: short stacking energy: -151.673
Base-Backbone interact. energy: 1.715
local terms energy: -371.350806
where:
bonds (distance) C4'-P energy: -119.608
bonds (distance) P-C4' energy: -117.286
flat angles C4'-P-C4' energy: -107.023
flat angles P-C4'-P energy: -55.628
tors. eta vs tors. theta energy: 28.194
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: 1, replica: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2684.775761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.775761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.775761 (E_RNA)
where:
Base-Base interactions energy: -1857.001
where: short stacking energy: -756.524
Base-Backbone interact. energy: -0.358
local terms energy: -827.416831
where:
bonds (distance) C4'-P energy: -163.860
bonds (distance) P-C4' energy: -143.465
flat angles C4'-P-C4' energy: -174.752
flat angles P-C4'-P energy: -122.417
tors. eta vs tors. theta energy: -222.921
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: 353
Temperature: 0.950000
Total energy: -2590.410240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.410240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.410240 (E_RNA)
where:
Base-Base interactions energy: -1761.712
where: short stacking energy: -770.096
Base-Backbone interact. energy: -2.667
local terms energy: -826.031574
where:
bonds (distance) C4'-P energy: -141.914
bonds (distance) P-C4' energy: -152.312
flat angles C4'-P-C4' energy: -183.744
flat angles P-C4'-P energy: -112.458
tors. eta vs tors. theta energy: -235.603
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: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -2394.682293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2394.682293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2394.682293 (E_RNA)
where:
Base-Base interactions energy: -1638.860
where: short stacking energy: -700.811
Base-Backbone interact. energy: -1.981
local terms energy: -753.840653
where:
bonds (distance) C4'-P energy: -150.125
bonds (distance) P-C4' energy: -137.540
flat angles C4'-P-C4' energy: -161.321
flat angles P-C4'-P energy: -90.381
tors. eta vs tors. theta energy: -214.473
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: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -2309.990034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.990034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.990034 (E_RNA)
where:
Base-Base interactions energy: -1576.686
where: short stacking energy: -666.063
Base-Backbone interact. energy: -0.923
local terms energy: -732.381403
where:
bonds (distance) C4'-P energy: -134.719
bonds (distance) P-C4' energy: -141.832
flat angles C4'-P-C4' energy: -164.973
flat angles P-C4'-P energy: -89.650
tors. eta vs tors. theta energy: -201.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -2073.106442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.106442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.106442 (E_RNA)
where:
Base-Base interactions energy: -1383.380
where: short stacking energy: -622.279
Base-Backbone interact. energy: 2.561
local terms energy: -692.287231
where:
bonds (distance) C4'-P energy: -142.198
bonds (distance) P-C4' energy: -114.481
flat angles C4'-P-C4' energy: -162.597
flat angles P-C4'-P energy: -99.684
tors. eta vs tors. theta energy: -173.328
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: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -2051.057510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.057510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.057510 (E_RNA)
where:
Base-Base interactions energy: -1360.849
where: short stacking energy: -565.839
Base-Backbone interact. energy: -0.005
local terms energy: -690.202988
where:
bonds (distance) C4'-P energy: -139.455
bonds (distance) P-C4' energy: -123.320
flat angles C4'-P-C4' energy: -150.814
flat angles P-C4'-P energy: -105.133
tors. eta vs tors. theta energy: -171.481
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: 6
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1699.783200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.783200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.783200 (E_RNA)
where:
Base-Base interactions energy: -1100.569
where: short stacking energy: -480.305
Base-Backbone interact. energy: -3.981
local terms energy: -595.233218
where:
bonds (distance) C4'-P energy: -136.969
bonds (distance) P-C4' energy: -130.397
flat angles C4'-P-C4' energy: -144.783
flat angles P-C4'-P energy: -74.504
tors. eta vs tors. theta energy: -108.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1320.344755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.344755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.344755 (E_RNA)
where:
Base-Base interactions energy: -798.253
where: short stacking energy: -357.316
Base-Backbone interact. energy: -0.725
local terms energy: -521.366538
where:
bonds (distance) C4'-P energy: -123.020
bonds (distance) P-C4' energy: -133.820
flat angles C4'-P-C4' energy: -119.167
flat angles P-C4'-P energy: -67.139
tors. eta vs tors. theta energy: -78.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -964.887518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.887518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.887518 (E_RNA)
where:
Base-Base interactions energy: -532.870
where: short stacking energy: -260.316
Base-Backbone interact. energy: 0.424
local terms energy: -432.441727
where:
bonds (distance) C4'-P energy: -126.072
bonds (distance) P-C4' energy: -137.438
flat angles C4'-P-C4' energy: -94.468
flat angles P-C4'-P energy: -56.878
tors. eta vs tors. theta energy: -17.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -572.282917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.282917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.282917 (E_RNA)
where:
Base-Base interactions energy: -224.395
where: short stacking energy: -162.885
Base-Backbone interact. energy: -1.174
local terms energy: -346.714288
where:
bonds (distance) C4'-P energy: -116.091
bonds (distance) P-C4' energy: -120.237
flat angles C4'-P-C4' energy: -71.533
flat angles P-C4'-P energy: -70.442
tors. eta vs tors. theta energy: 31.588
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: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2659.643199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.643199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.643199 (E_RNA)
where:
Base-Base interactions energy: -1837.451
where: short stacking energy: -731.075
Base-Backbone interact. energy: -3.646
local terms energy: -818.546072
where:
bonds (distance) C4'-P energy: -152.052
bonds (distance) P-C4' energy: -147.899
flat angles C4'-P-C4' energy: -171.589
flat angles P-C4'-P energy: -115.934
tors. eta vs tors. theta energy: -231.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -2612.129094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.129094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.129094 (E_RNA)
where:
Base-Base interactions energy: -1798.645
where: short stacking energy: -760.610
Base-Backbone interact. energy: 2.883
local terms energy: -816.367468
where:
bonds (distance) C4'-P energy: -132.720
bonds (distance) P-C4' energy: -154.611
flat angles C4'-P-C4' energy: -180.405
flat angles P-C4'-P energy: -106.826
tors. eta vs tors. theta energy: -241.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -2418.044532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.044532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.044532 (E_RNA)
where:
Base-Base interactions energy: -1636.152
where: short stacking energy: -716.207
Base-Backbone interact. energy: -2.257
local terms energy: -779.635479
where:
bonds (distance) C4'-P energy: -150.291
bonds (distance) P-C4' energy: -157.162
flat angles C4'-P-C4' energy: -148.869
flat angles P-C4'-P energy: -102.597
tors. eta vs tors. theta energy: -220.717
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -2306.076471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2306.076471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2306.076471 (E_RNA)
where:
Base-Base interactions energy: -1577.668
where: short stacking energy: -649.048
Base-Backbone interact. energy: -2.401
local terms energy: -726.006581
where:
bonds (distance) C4'-P energy: -134.452
bonds (distance) P-C4' energy: -135.003
flat angles C4'-P-C4' energy: -154.509
flat angles P-C4'-P energy: -103.897
tors. eta vs tors. theta energy: -198.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -2037.089291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.089291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.089291 (E_RNA)
where:
Base-Base interactions energy: -1368.522
where: short stacking energy: -590.118
Base-Backbone interact. energy: -1.224
local terms energy: -667.342904
where:
bonds (distance) C4'-P energy: -125.114
bonds (distance) P-C4' energy: -128.375
flat angles C4'-P-C4' energy: -142.866
flat angles P-C4'-P energy: -110.036
tors. eta vs tors. theta energy: -160.952
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: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -2103.514092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.514092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.514092 (E_RNA)
where:
Base-Base interactions energy: -1446.168
where: short stacking energy: -616.954
Base-Backbone interact. energy: -3.670
local terms energy: -653.676343
where:
bonds (distance) C4'-P energy: -104.040
bonds (distance) P-C4' energy: -124.816
flat angles C4'-P-C4' energy: -137.959
flat angles P-C4'-P energy: -100.720
tors. eta vs tors. theta energy: -186.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1642.947023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.947023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.947023 (E_RNA)
where:
Base-Base interactions energy: -1061.223
where: short stacking energy: -447.311
Base-Backbone interact. energy: -1.726
local terms energy: -579.997920
where:
bonds (distance) C4'-P energy: -121.798
bonds (distance) P-C4' energy: -129.378
flat angles C4'-P-C4' energy: -133.669
flat angles P-C4'-P energy: -82.767
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: 8, replica: 4
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1270.746136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.746136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.746136 (E_RNA)
where:
Base-Base interactions energy: -772.044
where: short stacking energy: -350.716
Base-Backbone interact. energy: 1.291
local terms energy: -499.993607
where:
bonds (distance) C4'-P energy: -119.077
bonds (distance) P-C4' energy: -129.028
flat angles C4'-P-C4' energy: -122.480
flat angles P-C4'-P energy: -79.422
tors. eta vs tors. theta energy: -49.985
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: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1031.003189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.003189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.003189 (E_RNA)
where:
Base-Base interactions energy: -574.352
where: short stacking energy: -294.105
Base-Backbone interact. energy: 2.637
local terms energy: -459.288646
where:
bonds (distance) C4'-P energy: -113.016
bonds (distance) P-C4' energy: -122.518
flat angles C4'-P-C4' energy: -111.314
flat angles P-C4'-P energy: -86.517
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -578.200732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.200732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.200732 (E_RNA)
where:
Base-Base interactions energy: -235.557
where: short stacking energy: -178.768
Base-Backbone interact. energy: 0.895
local terms energy: -343.539056
where:
bonds (distance) C4'-P energy: -121.767
bonds (distance) P-C4' energy: -117.259
flat angles C4'-P-C4' energy: -82.649
flat angles P-C4'-P energy: -44.569
tors. eta vs tors. theta energy: 22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2670.905584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.905584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.905584 (E_RNA)
where:
Base-Base interactions energy: -1865.687
where: short stacking energy: -746.459
Base-Backbone interact. energy: -5.035
local terms energy: -800.184157
where:
bonds (distance) C4'-P energy: -138.684
bonds (distance) P-C4' energy: -151.217
flat angles C4'-P-C4' energy: -171.340
flat angles P-C4'-P energy: -114.231
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: 2, replica: 5
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -2591.281255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.281255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.281255 (E_RNA)
where:
Base-Base interactions energy: -1788.266
where: short stacking energy: -773.555
Base-Backbone interact. energy: -1.345
local terms energy: -801.670573
where:
bonds (distance) C4'-P energy: -141.426
bonds (distance) P-C4' energy: -142.171
flat angles C4'-P-C4' energy: -171.482
flat angles P-C4'-P energy: -111.652
tors. eta vs tors. theta energy: -234.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -2391.053604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.053604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.053604 (E_RNA)
where:
Base-Base interactions energy: -1623.259
where: short stacking energy: -679.387
Base-Backbone interact. energy: -1.597
local terms energy: -766.197255
where:
bonds (distance) C4'-P energy: -146.928
bonds (distance) P-C4' energy: -143.421
flat angles C4'-P-C4' energy: -154.799
flat angles P-C4'-P energy: -119.529
tors. eta vs tors. theta energy: -201.520
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: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -2289.486110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.486110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.486110 (E_RNA)
where:
Base-Base interactions energy: -1599.627
where: short stacking energy: -630.297
Base-Backbone interact. energy: -2.092
local terms energy: -687.767573
where:
bonds (distance) C4'-P energy: -140.402
bonds (distance) P-C4' energy: -141.343
flat angles C4'-P-C4' energy: -135.909
flat angles P-C4'-P energy: -83.487
tors. eta vs tors. theta energy: -186.626
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: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -2080.878671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.878671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.878671 (E_RNA)
where:
Base-Base interactions energy: -1412.062
where: short stacking energy: -623.513
Base-Backbone interact. energy: 4.547
local terms energy: -673.363870
where:
bonds (distance) C4'-P energy: -127.606
bonds (distance) P-C4' energy: -116.195
flat angles C4'-P-C4' energy: -142.295
flat angles P-C4'-P energy: -105.346
tors. eta vs tors. theta energy: -181.921
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: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1937.793808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.793808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.793808 (E_RNA)
where:
Base-Base interactions energy: -1295.250
where: short stacking energy: -531.124
Base-Backbone interact. energy: 4.541
local terms energy: -647.085008
where:
bonds (distance) C4'-P energy: -131.686
bonds (distance) P-C4' energy: -150.461
flat angles C4'-P-C4' energy: -122.571
flat angles P-C4'-P energy: -92.974
tors. eta vs tors. theta energy: -149.392
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: 6
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1688.934774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.934774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.934774 (E_RNA)
where:
Base-Base interactions energy: -1067.999
where: short stacking energy: -483.292
Base-Backbone interact. energy: 2.930
local terms energy: -623.865134
where:
bonds (distance) C4'-P energy: -123.707
bonds (distance) P-C4' energy: -126.861
flat angles C4'-P-C4' energy: -150.920
flat angles P-C4'-P energy: -94.276
tors. eta vs tors. theta energy: -128.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1290.091889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.091889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.091889 (E_RNA)
where:
Base-Base interactions energy: -761.999
where: short stacking energy: -372.737
Base-Backbone interact. energy: -1.336
local terms energy: -526.757413
where:
bonds (distance) C4'-P energy: -112.845
bonds (distance) P-C4' energy: -140.902
flat angles C4'-P-C4' energy: -128.886
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -71.360
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: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1016.289614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.289614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.289614 (E_RNA)
where:
Base-Base interactions energy: -575.890
where: short stacking energy: -285.354
Base-Backbone interact. energy: 1.228
local terms energy: -441.627551
where:
bonds (distance) C4'-P energy: -120.359
bonds (distance) P-C4' energy: -118.910
flat angles C4'-P-C4' energy: -110.545
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -561.037829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.037829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.037829 (E_RNA)
where:
Base-Base interactions energy: -206.301
where: short stacking energy: -149.949
Base-Backbone interact. energy: -2.391
local terms energy: -352.346492
where:
bonds (distance) C4'-P energy: -115.536
bonds (distance) P-C4' energy: -136.744
flat angles C4'-P-C4' energy: -80.625
flat angles P-C4'-P energy: -49.364
tors. eta vs tors. theta energy: 29.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2665.118635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.118635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.118635 (E_RNA)
where:
Base-Base interactions energy: -1856.551
where: short stacking energy: -755.324
Base-Backbone interact. energy: -5.841
local terms energy: -802.726187
where:
bonds (distance) C4'-P energy: -141.798
bonds (distance) P-C4' energy: -152.623
flat angles C4'-P-C4' energy: -169.735
flat angles P-C4'-P energy: -103.461
tors. eta vs tors. theta energy: -235.109
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: 356
Temperature: 0.950000
Total energy: -2649.042517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2649.042517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2649.042517 (E_RNA)
where:
Base-Base interactions energy: -1837.504
where: short stacking energy: -778.200
Base-Backbone interact. energy: -2.520
local terms energy: -809.018546
where:
bonds (distance) C4'-P energy: -137.462
bonds (distance) P-C4' energy: -138.353
flat angles C4'-P-C4' energy: -175.504
flat angles P-C4'-P energy: -118.017
tors. eta vs tors. theta energy: -239.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -2375.770611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.770611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.770611 (E_RNA)
where:
Base-Base interactions energy: -1650.430
where: short stacking energy: -692.677
Base-Backbone interact. energy: 0.673
local terms energy: -726.013679
where:
bonds (distance) C4'-P energy: -151.776
bonds (distance) P-C4' energy: -110.814
flat angles C4'-P-C4' energy: -165.189
flat angles P-C4'-P energy: -100.692
tors. eta vs tors. theta energy: -197.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -2313.446300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.446300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.446300 (E_RNA)
where:
Base-Base interactions energy: -1588.060
where: short stacking energy: -632.501
Base-Backbone interact. energy: -2.518
local terms energy: -722.868309
where:
bonds (distance) C4'-P energy: -125.215
bonds (distance) P-C4' energy: -159.274
flat angles C4'-P-C4' energy: -168.595
flat angles P-C4'-P energy: -87.405
tors. eta vs tors. theta energy: -182.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -2039.481276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.481276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.481276 (E_RNA)
where:
Base-Base interactions energy: -1327.855
where: short stacking energy: -591.855
Base-Backbone interact. energy: -0.734
local terms energy: -710.892527
where:
bonds (distance) C4'-P energy: -150.122
bonds (distance) P-C4' energy: -147.428
flat angles C4'-P-C4' energy: -154.620
flat angles P-C4'-P energy: -95.096
tors. eta vs tors. theta energy: -163.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1951.005236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.005236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.005236 (E_RNA)
where:
Base-Base interactions energy: -1317.808
where: short stacking energy: -556.876
Base-Backbone interact. energy: -1.599
local terms energy: -631.598175
where:
bonds (distance) C4'-P energy: -117.078
bonds (distance) P-C4' energy: -133.337
flat angles C4'-P-C4' energy: -143.738
flat angles P-C4'-P energy: -94.403
tors. eta vs tors. theta energy: -143.041
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: 7, replica: 6
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1604.193557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.193557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.193557 (E_RNA)
where:
Base-Base interactions energy: -998.125
where: short stacking energy: -451.859
Base-Backbone interact. energy: -3.432
local terms energy: -602.636553
where:
bonds (distance) C4'-P energy: -137.021
bonds (distance) P-C4' energy: -132.390
flat angles C4'-P-C4' energy: -119.200
flat angles P-C4'-P energy: -89.381
tors. eta vs tors. theta energy: -124.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1274.754757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.754757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.754757 (E_RNA)
where:
Base-Base interactions energy: -755.468
where: short stacking energy: -354.952
Base-Backbone interact. energy: -1.170
local terms energy: -518.117672
where:
bonds (distance) C4'-P energy: -129.433
bonds (distance) P-C4' energy: -130.785
flat angles C4'-P-C4' energy: -130.047
flat angles P-C4'-P energy: -69.252
tors. eta vs tors. theta energy: -58.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1049.263072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.263072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.263072 (E_RNA)
where:
Base-Base interactions energy: -577.601
where: short stacking energy: -308.738
Base-Backbone interact. energy: -3.053
local terms energy: -468.608621
where:
bonds (distance) C4'-P energy: -113.459
bonds (distance) P-C4' energy: -129.677
flat angles C4'-P-C4' energy: -114.373
flat angles P-C4'-P energy: -71.614
tors. eta vs tors. theta energy: -39.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -619.203456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.203456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.203456 (E_RNA)
where:
Base-Base interactions energy: -234.139
where: short stacking energy: -173.046
Base-Backbone interact. energy: 0.660
local terms energy: -385.725310
where:
bonds (distance) C4'-P energy: -108.779
bonds (distance) P-C4' energy: -133.830
flat angles C4'-P-C4' energy: -80.060
flat angles P-C4'-P energy: -82.360
tors. eta vs tors. theta energy: 19.304
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: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2644.673861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.673861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.673861 (E_RNA)
where:
Base-Base interactions energy: -1840.615
where: short stacking energy: -728.511
Base-Backbone interact. energy: -5.420
local terms energy: -798.639184
where:
bonds (distance) C4'-P energy: -147.013
bonds (distance) P-C4' energy: -154.566
flat angles C4'-P-C4' energy: -168.797
flat angles P-C4'-P energy: -105.227
tors. eta vs tors. theta energy: -223.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -2601.072773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.072773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.072773 (E_RNA)
where:
Base-Base interactions energy: -1777.609
where: short stacking energy: -764.543
Base-Backbone interact. energy: 1.517
local terms energy: -824.980739
where:
bonds (distance) C4'-P energy: -148.606
bonds (distance) P-C4' energy: -151.453
flat angles C4'-P-C4' energy: -175.454
flat angles P-C4'-P energy: -112.514
tors. eta vs tors. theta energy: -236.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -2405.954271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.954271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.954271 (E_RNA)
where:
Base-Base interactions energy: -1683.021
where: short stacking energy: -700.113
Base-Backbone interact. energy: 4.416
local terms energy: -727.348403
where:
bonds (distance) C4'-P energy: -141.959
bonds (distance) P-C4' energy: -125.610
flat angles C4'-P-C4' energy: -161.185
flat angles P-C4'-P energy: -96.013
tors. eta vs tors. theta energy: -202.581
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: 8
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -2305.940127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2305.940127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2305.940127 (E_RNA)
where:
Base-Base interactions energy: -1598.261
where: short stacking energy: -639.793
Base-Backbone interact. energy: -0.023
local terms energy: -707.656070
where:
bonds (distance) C4'-P energy: -131.909
bonds (distance) P-C4' energy: -147.508
flat angles C4'-P-C4' energy: -161.084
flat angles P-C4'-P energy: -93.811
tors. eta vs tors. theta energy: -173.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -2022.887537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.887537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.887537 (E_RNA)
where:
Base-Base interactions energy: -1355.096
where: short stacking energy: -573.269
Base-Backbone interact. energy: -2.139
local terms energy: -665.652039
where:
bonds (distance) C4'-P energy: -122.898
bonds (distance) P-C4' energy: -124.922
flat angles C4'-P-C4' energy: -146.317
flat angles P-C4'-P energy: -103.315
tors. eta vs tors. theta energy: -168.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -2019.989818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.989818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.989818 (E_RNA)
where:
Base-Base interactions energy: -1395.063
where: short stacking energy: -576.060
Base-Backbone interact. energy: -0.941
local terms energy: -623.986426
where:
bonds (distance) C4'-P energy: -99.931
bonds (distance) P-C4' energy: -122.750
flat angles C4'-P-C4' energy: -145.215
flat angles P-C4'-P energy: -90.789
tors. eta vs tors. theta energy: -165.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1589.027976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.027976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.027976 (E_RNA)
where:
Base-Base interactions energy: -1013.836
where: short stacking energy: -431.060
Base-Backbone interact. energy: -1.590
local terms energy: -573.602440
where:
bonds (distance) C4'-P energy: -119.399
bonds (distance) P-C4' energy: -125.644
flat angles C4'-P-C4' energy: -138.867
flat angles P-C4'-P energy: -89.033
tors. eta vs tors. theta energy: -100.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1237.526873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.526873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.526873 (E_RNA)
where:
Base-Base interactions energy: -736.511
where: short stacking energy: -345.411
Base-Backbone interact. energy: -1.896
local terms energy: -499.119360
where:
bonds (distance) C4'-P energy: -113.222
bonds (distance) P-C4' energy: -145.683
flat angles C4'-P-C4' energy: -110.619
flat angles P-C4'-P energy: -81.035
tors. eta vs tors. theta energy: -48.561
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: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -925.755097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.755097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.755097 (E_RNA)
where:
Base-Base interactions energy: -500.422
where: short stacking energy: -252.772
Base-Backbone interact. energy: -0.505
local terms energy: -424.828025
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -110.599
flat angles C4'-P-C4' energy: -109.386
flat angles P-C4'-P energy: -67.821
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -653.360917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.360917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.360917 (E_RNA)
where:
Base-Base interactions energy: -259.367
where: short stacking energy: -181.286
Base-Backbone interact. energy: 0.914
local terms energy: -394.908019
where:
bonds (distance) C4'-P energy: -130.066
bonds (distance) P-C4' energy: -113.782
flat angles C4'-P-C4' energy: -114.839
flat angles P-C4'-P energy: -54.310
tors. eta vs tors. theta energy: 18.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2674.989321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.989321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.989321 (E_RNA)
where:
Base-Base interactions energy: -1836.637
where: short stacking energy: -777.229
Base-Backbone interact. energy: -4.409
local terms energy: -833.943303
where:
bonds (distance) C4'-P energy: -145.906
bonds (distance) P-C4' energy: -144.362
flat angles C4'-P-C4' energy: -177.656
flat angles P-C4'-P energy: -107.426
tors. eta vs tors. theta energy: -258.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -2603.132869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.132869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.132869 (E_RNA)
where:
Base-Base interactions energy: -1816.499
where: short stacking energy: -762.597
Base-Backbone interact. energy: -1.674
local terms energy: -784.960208
where:
bonds (distance) C4'-P energy: -131.015
bonds (distance) P-C4' energy: -152.925
flat angles C4'-P-C4' energy: -167.309
flat angles P-C4'-P energy: -106.515
tors. eta vs tors. theta energy: -227.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -2392.188825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2392.188825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2392.188825 (E_RNA)
where:
Base-Base interactions energy: -1637.266
where: short stacking energy: -688.015
Base-Backbone interact. energy: 0.825
local terms energy: -755.747354
where:
bonds (distance) C4'-P energy: -147.166
bonds (distance) P-C4' energy: -141.677
flat angles C4'-P-C4' energy: -157.996
flat angles P-C4'-P energy: -104.524
tors. eta vs tors. theta energy: -204.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -2251.432045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2251.432045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2251.432045 (E_RNA)
where:
Base-Base interactions energy: -1577.021
where: short stacking energy: -644.988
Base-Backbone interact. energy: 0.075
local terms energy: -674.485283
where:
bonds (distance) C4'-P energy: -129.145
bonds (distance) P-C4' energy: -118.234
flat angles C4'-P-C4' energy: -161.963
flat angles P-C4'-P energy: -88.502
tors. eta vs tors. theta energy: -176.642
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: 358
Temperature: 1.100000
Total energy: -2064.461411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.461411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.461411 (E_RNA)
where:
Base-Base interactions energy: -1382.085
where: short stacking energy: -588.145
Base-Backbone interact. energy: 2.251
local terms energy: -684.627040
where:
bonds (distance) C4'-P energy: -126.374
bonds (distance) P-C4' energy: -125.758
flat angles C4'-P-C4' energy: -157.474
flat angles P-C4'-P energy: -106.901
tors. eta vs tors. theta energy: -168.120
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: 10
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1983.095545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.095545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.095545 (E_RNA)
where:
Base-Base interactions energy: -1294.809
where: short stacking energy: -565.408
Base-Backbone interact. energy: 6.893
local terms energy: -695.179150
where:
bonds (distance) C4'-P energy: -135.546
bonds (distance) P-C4' energy: -145.446
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -92.945
tors. eta vs tors. theta energy: -162.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1610.676279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.676279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.676279 (E_RNA)
where:
Base-Base interactions energy: -1031.040
where: short stacking energy: -451.873
Base-Backbone interact. energy: -0.037
local terms energy: -579.598676
where:
bonds (distance) C4'-P energy: -117.473
bonds (distance) P-C4' energy: -128.081
flat angles C4'-P-C4' energy: -142.431
flat angles P-C4'-P energy: -84.387
tors. eta vs tors. theta energy: -107.227
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: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1298.430738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.430738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.430738 (E_RNA)
where:
Base-Base interactions energy: -774.104
where: short stacking energy: -357.826
Base-Backbone interact. energy: -0.650
local terms energy: -523.676798
where:
bonds (distance) C4'-P energy: -112.146
bonds (distance) P-C4' energy: -128.695
flat angles C4'-P-C4' energy: -130.927
flat angles P-C4'-P energy: -88.793
tors. eta vs tors. theta energy: -63.116
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: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -982.354953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.354953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.354953 (E_RNA)
where:
Base-Base interactions energy: -547.529
where: short stacking energy: -275.172
Base-Backbone interact. energy: 1.053
local terms energy: -435.878683
where:
bonds (distance) C4'-P energy: -114.702
bonds (distance) P-C4' energy: -122.912
flat angles C4'-P-C4' energy: -124.475
flat angles P-C4'-P energy: -59.852
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -648.141729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.141729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.141729 (E_RNA)
where:
Base-Base interactions energy: -276.012
where: short stacking energy: -170.960
Base-Backbone interact. energy: -1.179
local terms energy: -370.951028
where:
bonds (distance) C4'-P energy: -104.428
bonds (distance) P-C4' energy: -127.191
flat angles C4'-P-C4' energy: -108.298
flat angles P-C4'-P energy: -59.971
tors. eta vs tors. theta energy: 28.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2688.844448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.844448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.844448 (E_RNA)
where:
Base-Base interactions energy: -1864.282
where: short stacking energy: -792.146
Base-Backbone interact. energy: 1.641
local terms energy: -826.203291
where:
bonds (distance) C4'-P energy: -139.915
bonds (distance) P-C4' energy: -156.141
flat angles C4'-P-C4' energy: -177.488
flat angles P-C4'-P energy: -104.933
tors. eta vs tors. theta energy: -247.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -2602.247301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.247301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.247301 (E_RNA)
where:
Base-Base interactions energy: -1785.903
where: short stacking energy: -751.841
Base-Backbone interact. energy: -5.276
local terms energy: -811.067849
where:
bonds (distance) C4'-P energy: -137.471
bonds (distance) P-C4' energy: -157.497
flat angles C4'-P-C4' energy: -172.346
flat angles P-C4'-P energy: -116.033
tors. eta vs tors. theta energy: -227.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -2433.961208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2433.961208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2433.961208 (E_RNA)
where:
Base-Base interactions energy: -1663.945
where: short stacking energy: -672.770
Base-Backbone interact. energy: -0.226
local terms energy: -769.790843
where:
bonds (distance) C4'-P energy: -148.461
bonds (distance) P-C4' energy: -150.224
flat angles C4'-P-C4' energy: -163.357
flat angles P-C4'-P energy: -96.730
tors. eta vs tors. theta energy: -211.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -2299.427655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2299.427655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2299.427655 (E_RNA)
where:
Base-Base interactions energy: -1610.821
where: short stacking energy: -647.952
Base-Backbone interact. energy: -1.762
local terms energy: -686.844841
where:
bonds (distance) C4'-P energy: -139.909
bonds (distance) P-C4' energy: -112.460
flat angles C4'-P-C4' energy: -142.653
flat angles P-C4'-P energy: -110.693
tors. eta vs tors. theta energy: -181.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -2087.345374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.345374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.345374 (E_RNA)
where:
Base-Base interactions energy: -1369.590
where: short stacking energy: -599.551
Base-Backbone interact. energy: 1.783
local terms energy: -719.538999
where:
bonds (distance) C4'-P energy: -161.677
bonds (distance) P-C4' energy: -138.902
flat angles C4'-P-C4' energy: -147.688
flat angles P-C4'-P energy: -101.951
tors. eta vs tors. theta energy: -169.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1960.209316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.209316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.209316 (E_RNA)
where:
Base-Base interactions energy: -1269.648
where: short stacking energy: -566.296
Base-Backbone interact. energy: -1.387
local terms energy: -689.174060
where:
bonds (distance) C4'-P energy: -137.475
bonds (distance) P-C4' energy: -141.896
flat angles C4'-P-C4' energy: -153.081
flat angles P-C4'-P energy: -99.779
tors. eta vs tors. theta energy: -156.944
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: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1680.421926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.421926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.421926 (E_RNA)
where:
Base-Base interactions energy: -1088.360
where: short stacking energy: -489.058
Base-Backbone interact. energy: -0.419
local terms energy: -591.642513
where:
bonds (distance) C4'-P energy: -117.355
bonds (distance) P-C4' energy: -143.111
flat angles C4'-P-C4' energy: -132.040
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -119.668
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: 359
Temperature: 1.250000
Total energy: -1366.270166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.270166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.270166 (E_RNA)
where:
Base-Base interactions energy: -864.700
where: short stacking energy: -383.446
Base-Backbone interact. energy: 3.538
local terms energy: -505.108278
where:
bonds (distance) C4'-P energy: -109.933
bonds (distance) P-C4' energy: -125.688
flat angles C4'-P-C4' energy: -129.834
flat angles P-C4'-P energy: -91.462
tors. eta vs tors. theta energy: -48.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -969.643438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.643438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.643438 (E_RNA)
where:
Base-Base interactions energy: -533.564
where: short stacking energy: -272.553
Base-Backbone interact. energy: 0.821
local terms energy: -436.900580
where:
bonds (distance) C4'-P energy: -104.461
bonds (distance) P-C4' energy: -114.196
flat angles C4'-P-C4' energy: -115.432
flat angles P-C4'-P energy: -69.701
tors. eta vs tors. theta energy: -33.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -702.529610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.529610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.529610 (E_RNA)
where:
Base-Base interactions energy: -317.927
where: short stacking energy: -189.016
Base-Backbone interact. energy: 4.394
local terms energy: -388.996528
where:
bonds (distance) C4'-P energy: -134.084
bonds (distance) P-C4' energy: -110.479
flat angles C4'-P-C4' energy: -97.958
flat angles P-C4'-P energy: -53.702
tors. eta vs tors. theta energy: 7.226
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: 5
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2708.330717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.330717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.330717 (E_RNA)
where:
Base-Base interactions energy: -1870.899
where: short stacking energy: -820.296
Base-Backbone interact. energy: -4.287
local terms energy: -833.144914
where:
bonds (distance) C4'-P energy: -147.656
bonds (distance) P-C4' energy: -139.003
flat angles C4'-P-C4' energy: -180.905
flat angles P-C4'-P energy: -110.793
tors. eta vs tors. theta energy: -254.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2626.504743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2626.504743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2626.504743 (E_RNA)
where:
Base-Base interactions energy: -1831.562
where: short stacking energy: -758.379
Base-Backbone interact. energy: -6.826
local terms energy: -788.116526
where:
bonds (distance) C4'-P energy: -122.215
bonds (distance) P-C4' energy: -143.420
flat angles C4'-P-C4' energy: -174.009
flat angles P-C4'-P energy: -121.340
tors. eta vs tors. theta energy: -227.133
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: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -2449.199877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2449.199877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2449.199877 (E_RNA)
where:
Base-Base interactions energy: -1686.074
where: short stacking energy: -704.162
Base-Backbone interact. energy: 0.379
local terms energy: -763.504992
where:
bonds (distance) C4'-P energy: -166.122
bonds (distance) P-C4' energy: -136.739
flat angles C4'-P-C4' energy: -155.592
flat angles P-C4'-P energy: -101.492
tors. eta vs tors. theta energy: -203.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -2280.064433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.064433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.064433 (E_RNA)
where:
Base-Base interactions energy: -1550.471
where: short stacking energy: -649.899
Base-Backbone interact. energy: 1.177
local terms energy: -730.769847
where:
bonds (distance) C4'-P energy: -144.133
bonds (distance) P-C4' energy: -134.658
flat angles C4'-P-C4' energy: -153.291
flat angles P-C4'-P energy: -111.656
tors. eta vs tors. theta energy: -187.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -2091.069813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.069813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.069813 (E_RNA)
where:
Base-Base interactions energy: -1415.208
where: short stacking energy: -601.450
Base-Backbone interact. energy: -0.910
local terms energy: -674.951701
where:
bonds (distance) C4'-P energy: -125.859
bonds (distance) P-C4' energy: -141.958
flat angles C4'-P-C4' energy: -154.032
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -166.049
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: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1976.386288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.386288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.386288 (E_RNA)
where:
Base-Base interactions energy: -1320.191
where: short stacking energy: -563.660
Base-Backbone interact. energy: -1.528
local terms energy: -654.667632
where:
bonds (distance) C4'-P energy: -127.289
bonds (distance) P-C4' energy: -134.809
flat angles C4'-P-C4' energy: -155.533
flat angles P-C4'-P energy: -84.620
tors. eta vs tors. theta energy: -152.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1441.705248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.705248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.705248 (E_RNA)
where:
Base-Base interactions energy: -871.486
where: short stacking energy: -416.581
Base-Backbone interact. energy: 0.031
local terms energy: -570.250932
where:
bonds (distance) C4'-P energy: -119.421
bonds (distance) P-C4' energy: -144.033
flat angles C4'-P-C4' energy: -132.527
flat angles P-C4'-P energy: -80.993
tors. eta vs tors. theta energy: -93.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1539.610062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.610062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.610062 (E_RNA)
where:
Base-Base interactions energy: -1003.406
where: short stacking energy: -452.662
Base-Backbone interact. energy: -1.515
local terms energy: -534.688595
where:
bonds (distance) C4'-P energy: -97.953
bonds (distance) P-C4' energy: -120.724
flat angles C4'-P-C4' energy: -119.463
flat angles P-C4'-P energy: -76.033
tors. eta vs tors. theta energy: -120.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -940.626216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.626216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.626216 (E_RNA)
where:
Base-Base interactions energy: -513.930
where: short stacking energy: -255.440
Base-Backbone interact. energy: 0.803
local terms energy: -427.498959
where:
bonds (distance) C4'-P energy: -113.496
bonds (distance) P-C4' energy: -135.738
flat angles C4'-P-C4' energy: -124.336
flat angles P-C4'-P energy: -57.073
tors. eta vs tors. theta energy: 3.144
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: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -568.512771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.512771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.512771 (E_RNA)
where:
Base-Base interactions energy: -198.412
where: short stacking energy: -150.827
Base-Backbone interact. energy: 10.465
local terms energy: -380.565413
where:
bonds (distance) C4'-P energy: -129.695
bonds (distance) P-C4' energy: -129.834
flat angles C4'-P-C4' energy: -103.992
flat angles P-C4'-P energy: -67.403
tors. eta vs tors. theta energy: 50.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2690.563381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.563381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.563381 (E_RNA)
where:
Base-Base interactions energy: -1840.373
where: short stacking energy: -798.351
Base-Backbone interact. energy: -6.641
local terms energy: -843.549155
where:
bonds (distance) C4'-P energy: -145.923
bonds (distance) P-C4' energy: -148.112
flat angles C4'-P-C4' energy: -176.377
flat angles P-C4'-P energy: -116.585
tors. eta vs tors. theta energy: -256.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -2602.427945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.427945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.427945 (E_RNA)
where:
Base-Base interactions energy: -1803.193
where: short stacking energy: -742.995
Base-Backbone interact. energy: -5.771
local terms energy: -793.464042
where:
bonds (distance) C4'-P energy: -152.631
bonds (distance) P-C4' energy: -154.622
flat angles C4'-P-C4' energy: -162.574
flat angles P-C4'-P energy: -93.311
tors. eta vs tors. theta energy: -230.326
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: 3
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -2427.557796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2427.557796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2427.557796 (E_RNA)
where:
Base-Base interactions energy: -1676.361
where: short stacking energy: -690.707
Base-Backbone interact. energy: 8.006
local terms energy: -759.203130
where:
bonds (distance) C4'-P energy: -162.437
bonds (distance) P-C4' energy: -127.797
flat angles C4'-P-C4' energy: -161.095
flat angles P-C4'-P energy: -109.381
tors. eta vs tors. theta energy: -198.494
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: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -2277.932382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.932382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.932382 (E_RNA)
where:
Base-Base interactions energy: -1569.580
where: short stacking energy: -642.858
Base-Backbone interact. energy: 0.039
local terms energy: -708.390886
where:
bonds (distance) C4'-P energy: -133.419
bonds (distance) P-C4' energy: -140.439
flat angles C4'-P-C4' energy: -158.397
flat angles P-C4'-P energy: -105.648
tors. eta vs tors. theta energy: -170.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -2104.591131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.591131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.591131 (E_RNA)
where:
Base-Base interactions energy: -1428.663
where: short stacking energy: -609.188
Base-Backbone interact. energy: 4.110
local terms energy: -680.038471
where:
bonds (distance) C4'-P energy: -144.144
bonds (distance) P-C4' energy: -128.948
flat angles C4'-P-C4' energy: -142.938
flat angles P-C4'-P energy: -91.969
tors. eta vs tors. theta energy: -172.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1971.019838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.019838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.019838 (E_RNA)
where:
Base-Base interactions energy: -1308.213
where: short stacking energy: -595.169
Base-Backbone interact. energy: -1.756
local terms energy: -661.050929
where:
bonds (distance) C4'-P energy: -130.495
bonds (distance) P-C4' energy: -142.470
flat angles C4'-P-C4' energy: -140.164
flat angles P-C4'-P energy: -87.344
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: 7, replica: 4
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1483.548872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.548872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.548872 (E_RNA)
where:
Base-Base interactions energy: -907.534
where: short stacking energy: -429.816
Base-Backbone interact. energy: 1.487
local terms energy: -577.501471
where:
bonds (distance) C4'-P energy: -123.762
bonds (distance) P-C4' energy: -141.365
flat angles C4'-P-C4' energy: -134.302
flat angles P-C4'-P energy: -81.328
tors. eta vs tors. theta energy: -96.744
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: 6
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1480.708137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.708137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.708137 (E_RNA)
where:
Base-Base interactions energy: -875.443
where: short stacking energy: -413.271
Base-Backbone interact. energy: 0.850
local terms energy: -606.115486
where:
bonds (distance) C4'-P energy: -139.640
bonds (distance) P-C4' energy: -135.843
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -95.514
tors. eta vs tors. theta energy: -100.954
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: 9, replica: 7
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1007.078724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.078724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.078724 (E_RNA)
where:
Base-Base interactions energy: -545.415
where: short stacking energy: -250.825
Base-Backbone interact. energy: 0.294
local terms energy: -461.957542
where:
bonds (distance) C4'-P energy: -119.303
bonds (distance) P-C4' energy: -135.835
flat angles C4'-P-C4' energy: -113.375
flat angles P-C4'-P energy: -78.361
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -535.118763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.118763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.118763 (E_RNA)
where:
Base-Base interactions energy: -183.167
where: short stacking energy: -149.645
Base-Backbone interact. energy: 0.837
local terms energy: -352.788570
where:
bonds (distance) C4'-P energy: -120.593
bonds (distance) P-C4' energy: -133.986
flat angles C4'-P-C4' energy: -87.643
flat angles P-C4'-P energy: -54.742
tors. eta vs tors. theta energy: 44.175
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: 5
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2680.920142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.920142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.920142 (E_RNA)
where:
Base-Base interactions energy: -1829.633
where: short stacking energy: -756.829
Base-Backbone interact. energy: 1.129
local terms energy: -852.415811
where:
bonds (distance) C4'-P energy: -146.237
bonds (distance) P-C4' energy: -159.636
flat angles C4'-P-C4' energy: -176.573
flat angles P-C4'-P energy: -136.280
tors. eta vs tors. theta energy: -233.690
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -2599.840214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.840214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.840214 (E_RNA)
where:
Base-Base interactions energy: -1808.062
where: short stacking energy: -751.964
Base-Backbone interact. energy: -5.867
local terms energy: -785.911629
where:
bonds (distance) C4'-P energy: -153.398
bonds (distance) P-C4' energy: -132.629
flat angles C4'-P-C4' energy: -170.988
flat angles P-C4'-P energy: -112.074
tors. eta vs tors. theta energy: -216.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -2414.422153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2414.422153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2414.422153 (E_RNA)
where:
Base-Base interactions energy: -1653.117
where: short stacking energy: -692.219
Base-Backbone interact. energy: -3.209
local terms energy: -758.096501
where:
bonds (distance) C4'-P energy: -127.128
bonds (distance) P-C4' energy: -152.266
flat angles C4'-P-C4' energy: -167.058
flat angles P-C4'-P energy: -99.630
tors. eta vs tors. theta energy: -212.014
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: 4, replica: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -2311.601804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.601804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.601804 (E_RNA)
where:
Base-Base interactions energy: -1581.679
where: short stacking energy: -632.600
Base-Backbone interact. energy: -2.765
local terms energy: -727.157899
where:
bonds (distance) C4'-P energy: -146.616
bonds (distance) P-C4' energy: -135.364
flat angles C4'-P-C4' energy: -173.013
flat angles P-C4'-P energy: -94.693
tors. eta vs tors. theta energy: -177.473
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: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -2077.809110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.809110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.809110 (E_RNA)
where:
Base-Base interactions energy: -1394.192
where: short stacking energy: -572.021
Base-Backbone interact. energy: -1.844
local terms energy: -681.772770
where:
bonds (distance) C4'-P energy: -130.190
bonds (distance) P-C4' energy: -145.864
flat angles C4'-P-C4' energy: -144.501
flat angles P-C4'-P energy: -89.956
tors. eta vs tors. theta energy: -171.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1957.567820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.567820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.567820 (E_RNA)
where:
Base-Base interactions energy: -1309.494
where: short stacking energy: -569.024
Base-Backbone interact. energy: 2.420
local terms energy: -650.493928
where:
bonds (distance) C4'-P energy: -134.084
bonds (distance) P-C4' energy: -140.444
flat angles C4'-P-C4' energy: -151.079
flat angles P-C4'-P energy: -74.806
tors. eta vs tors. theta energy: -150.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1599.582497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.582497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.582497 (E_RNA)
where:
Base-Base interactions energy: -988.734
where: short stacking energy: -469.236
Base-Backbone interact. energy: 1.042
local terms energy: -611.890815
where:
bonds (distance) C4'-P energy: -126.559
bonds (distance) P-C4' energy: -139.126
flat angles C4'-P-C4' energy: -141.931
flat angles P-C4'-P energy: -95.304
tors. eta vs tors. theta energy: -108.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1346.911728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.911728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.911728 (E_RNA)
where:
Base-Base interactions energy: -815.178
where: short stacking energy: -379.846
Base-Backbone interact. energy: 0.054
local terms energy: -531.787455
where:
bonds (distance) C4'-P energy: -109.859
bonds (distance) P-C4' energy: -133.535
flat angles C4'-P-C4' energy: -126.713
flat angles P-C4'-P energy: -98.131
tors. eta vs tors. theta energy: -63.550
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: 7
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1004.876311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.876311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.876311 (E_RNA)
where:
Base-Base interactions energy: -532.051
where: short stacking energy: -267.734
Base-Backbone interact. energy: 2.206
local terms energy: -475.031785
where:
bonds (distance) C4'-P energy: -119.431
bonds (distance) P-C4' energy: -131.095
flat angles C4'-P-C4' energy: -110.240
flat angles P-C4'-P energy: -65.553
tors. eta vs tors. theta energy: -48.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -557.958840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.958840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.958840 (E_RNA)
where:
Base-Base interactions energy: -181.585
where: short stacking energy: -161.924
Base-Backbone interact. energy: 3.154
local terms energy: -379.527568
where:
bonds (distance) C4'-P energy: -110.211
bonds (distance) P-C4' energy: -142.547
flat angles C4'-P-C4' energy: -100.679
flat angles P-C4'-P energy: -65.286
tors. eta vs tors. theta energy: 39.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2679.466982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.466982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.466982 (E_RNA)
where:
Base-Base interactions energy: -1859.167
where: short stacking energy: -772.290
Base-Backbone interact. energy: -4.349
local terms energy: -815.950390
where:
bonds (distance) C4'-P energy: -154.395
bonds (distance) P-C4' energy: -147.575
flat angles C4'-P-C4' energy: -166.645
flat angles P-C4'-P energy: -106.484
tors. eta vs tors. theta energy: -240.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2557.295768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.295768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.295768 (E_RNA)
where:
Base-Base interactions energy: -1774.109
where: short stacking energy: -742.943
Base-Backbone interact. energy: -1.530
local terms energy: -781.655879
where:
bonds (distance) C4'-P energy: -148.552
bonds (distance) P-C4' energy: -140.451
flat angles C4'-P-C4' energy: -167.004
flat angles P-C4'-P energy: -98.353
tors. eta vs tors. theta energy: -227.296
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: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -2443.220318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.220318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.220318 (E_RNA)
where:
Base-Base interactions energy: -1662.986
where: short stacking energy: -690.597
Base-Backbone interact. energy: -2.908
local terms energy: -777.325655
where:
bonds (distance) C4'-P energy: -145.516
bonds (distance) P-C4' energy: -144.235
flat angles C4'-P-C4' energy: -161.889
flat angles P-C4'-P energy: -114.435
tors. eta vs tors. theta energy: -211.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -2288.867271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.867271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.867271 (E_RNA)
where:
Base-Base interactions energy: -1569.604
where: short stacking energy: -640.149
Base-Backbone interact. energy: 3.663
local terms energy: -722.925706
where:
bonds (distance) C4'-P energy: -142.368
bonds (distance) P-C4' energy: -133.156
flat angles C4'-P-C4' energy: -155.083
flat angles P-C4'-P energy: -101.904
tors. eta vs tors. theta energy: -190.414
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: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -2130.157010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2130.157010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2130.157010 (E_RNA)
where:
Base-Base interactions energy: -1434.831
where: short stacking energy: -631.358
Base-Backbone interact. energy: -1.880
local terms energy: -693.446153
where:
bonds (distance) C4'-P energy: -128.547
bonds (distance) P-C4' energy: -128.273
flat angles C4'-P-C4' energy: -160.515
flat angles P-C4'-P energy: -94.832
tors. eta vs tors. theta energy: -181.279
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: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1908.831805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.831805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.831805 (E_RNA)
where:
Base-Base interactions energy: -1266.451
where: short stacking energy: -547.675
Base-Backbone interact. energy: 1.101
local terms energy: -643.481361
where:
bonds (distance) C4'-P energy: -135.682
bonds (distance) P-C4' energy: -133.717
flat angles C4'-P-C4' energy: -147.901
flat angles P-C4'-P energy: -75.712
tors. eta vs tors. theta energy: -150.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1610.040632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.040632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.040632 (E_RNA)
where:
Base-Base interactions energy: -1015.153
where: short stacking energy: -495.344
Base-Backbone interact. energy: -0.968
local terms energy: -593.920038
where:
bonds (distance) C4'-P energy: -131.113
bonds (distance) P-C4' energy: -131.766
flat angles C4'-P-C4' energy: -143.876
flat angles P-C4'-P energy: -76.273
tors. eta vs tors. theta energy: -110.892
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: 4
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1456.913230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.913230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.913230 (E_RNA)
where:
Base-Base interactions energy: -928.451
where: short stacking energy: -418.898
Base-Backbone interact. energy: 1.873
local terms energy: -530.335324
where:
bonds (distance) C4'-P energy: -108.862
bonds (distance) P-C4' energy: -132.212
flat angles C4'-P-C4' energy: -114.607
flat angles P-C4'-P energy: -83.194
tors. eta vs tors. theta energy: -91.460
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: 9, replica: 7
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -982.533963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.533963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.533963 (E_RNA)
where:
Base-Base interactions energy: -538.732
where: short stacking energy: -283.535
Base-Backbone interact. energy: 1.274
local terms energy: -445.076410
where:
bonds (distance) C4'-P energy: -116.239
bonds (distance) P-C4' energy: -106.740
flat angles C4'-P-C4' energy: -119.769
flat angles P-C4'-P energy: -78.691
tors. eta vs tors. theta energy: -23.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -551.158143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.158143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.158143 (E_RNA)
where:
Base-Base interactions energy: -203.630
where: short stacking energy: -156.483
Base-Backbone interact. energy: 0.892
local terms energy: -348.419994
where:
bonds (distance) C4'-P energy: -95.557
bonds (distance) P-C4' energy: -133.417
flat angles C4'-P-C4' energy: -103.091
flat angles P-C4'-P energy: -61.219
tors. eta vs tors. theta energy: 44.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2639.709657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.709657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.709657 (E_RNA)
where:
Base-Base interactions energy: -1821.316
where: short stacking energy: -772.478
Base-Backbone interact. energy: -2.809
local terms energy: -815.584502
where:
bonds (distance) C4'-P energy: -142.250
bonds (distance) P-C4' energy: -154.914
flat angles C4'-P-C4' energy: -178.930
flat angles P-C4'-P energy: -116.479
tors. eta vs tors. theta energy: -223.011
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: 5
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -2592.204836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.204836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.204836 (E_RNA)
where:
Base-Base interactions energy: -1771.096
where: short stacking energy: -767.832
Base-Backbone interact. energy: 2.264
local terms energy: -823.373112
where:
bonds (distance) C4'-P energy: -148.542
bonds (distance) P-C4' energy: -144.628
flat angles C4'-P-C4' energy: -179.213
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -248.593
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: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -2441.237120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.237120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.237120 (E_RNA)
where:
Base-Base interactions energy: -1687.089
where: short stacking energy: -703.231
Base-Backbone interact. energy: -6.124
local terms energy: -748.024600
where:
bonds (distance) C4'-P energy: -128.478
bonds (distance) P-C4' energy: -140.123
flat angles C4'-P-C4' energy: -157.294
flat angles P-C4'-P energy: -113.555
tors. eta vs tors. theta energy: -208.575
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: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -2287.071097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.071097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.071097 (E_RNA)
where:
Base-Base interactions energy: -1553.136
where: short stacking energy: -625.114
Base-Backbone interact. energy: -2.052
local terms energy: -731.883116
where:
bonds (distance) C4'-P energy: -130.124
bonds (distance) P-C4' energy: -156.558
flat angles C4'-P-C4' energy: -164.966
flat angles P-C4'-P energy: -103.461
tors. eta vs tors. theta energy: -176.774
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: 364
Temperature: 1.100000
Total energy: -2156.310886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.310886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.310886 (E_RNA)
where:
Base-Base interactions energy: -1469.112
where: short stacking energy: -605.292
Base-Backbone interact. energy: -0.190
local terms energy: -687.009150
where:
bonds (distance) C4'-P energy: -130.802
bonds (distance) P-C4' energy: -140.791
flat angles C4'-P-C4' energy: -154.671
flat angles P-C4'-P energy: -92.098
tors. eta vs tors. theta energy: -168.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1919.324771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.324771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.324771 (E_RNA)
where:
Base-Base interactions energy: -1285.586
where: short stacking energy: -557.876
Base-Backbone interact. energy: -1.966
local terms energy: -631.772972
where:
bonds (distance) C4'-P energy: -124.267
bonds (distance) P-C4' energy: -123.509
flat angles C4'-P-C4' energy: -145.594
flat angles P-C4'-P energy: -88.717
tors. eta vs tors. theta energy: -149.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1626.323799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.323799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.323799 (E_RNA)
where:
Base-Base interactions energy: -1025.066
where: short stacking energy: -475.336
Base-Backbone interact. energy: -1.985
local terms energy: -599.272532
where:
bonds (distance) C4'-P energy: -119.097
bonds (distance) P-C4' energy: -121.329
flat angles C4'-P-C4' energy: -143.796
flat angles P-C4'-P energy: -90.229
tors. eta vs tors. theta energy: -124.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1422.074048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.074048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.074048 (E_RNA)
where:
Base-Base interactions energy: -887.824
where: short stacking energy: -444.897
Base-Backbone interact. energy: 1.391
local terms energy: -535.641967
where:
bonds (distance) C4'-P energy: -109.805
bonds (distance) P-C4' energy: -123.736
flat angles C4'-P-C4' energy: -132.589
flat angles P-C4'-P energy: -68.239
tors. eta vs tors. theta energy: -101.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -996.123056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.123056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.123056 (E_RNA)
where:
Base-Base interactions energy: -525.081
where: short stacking energy: -250.229
Base-Backbone interact. energy: -1.422
local terms energy: -469.620041
where:
bonds (distance) C4'-P energy: -111.480
bonds (distance) P-C4' energy: -140.307
flat angles C4'-P-C4' energy: -126.785
flat angles P-C4'-P energy: -72.012
tors. eta vs tors. theta energy: -19.036
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: 10, replica: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -529.641951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.641951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.641951 (E_RNA)
where:
Base-Base interactions energy: -184.071
where: short stacking energy: -157.908
Base-Backbone interact. energy: -0.174
local terms energy: -345.397378
where:
bonds (distance) C4'-P energy: -99.781
bonds (distance) P-C4' energy: -135.806
flat angles C4'-P-C4' energy: -98.855
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: 33.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2643.121260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2643.121260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2643.121260 (E_RNA)
where:
Base-Base interactions energy: -1815.378
where: short stacking energy: -754.801
Base-Backbone interact. energy: -1.591
local terms energy: -826.152365
where:
bonds (distance) C4'-P energy: -160.890
bonds (distance) P-C4' energy: -141.874
flat angles C4'-P-C4' energy: -172.628
flat angles P-C4'-P energy: -118.172
tors. eta vs tors. theta energy: -232.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -2600.116098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.116098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.116098 (E_RNA)
where:
Base-Base interactions energy: -1772.953
where: short stacking energy: -764.977
Base-Backbone interact. energy: 2.271
local terms energy: -829.434125
where:
bonds (distance) C4'-P energy: -147.974
bonds (distance) P-C4' energy: -146.794
flat angles C4'-P-C4' energy: -181.402
flat angles P-C4'-P energy: -109.757
tors. eta vs tors. theta energy: -243.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -2492.311622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2492.311622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2492.311622 (E_RNA)
where:
Base-Base interactions energy: -1721.021
where: short stacking energy: -697.123
Base-Backbone interact. energy: -0.705
local terms energy: -770.584788
where:
bonds (distance) C4'-P energy: -151.211
bonds (distance) P-C4' energy: -142.019
flat angles C4'-P-C4' energy: -169.558
flat angles P-C4'-P energy: -100.662
tors. eta vs tors. theta energy: -207.136
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: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -2342.560693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.560693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.560693 (E_RNA)
where:
Base-Base interactions energy: -1598.400
where: short stacking energy: -670.019
Base-Backbone interact. energy: -2.600
local terms energy: -741.560602
where:
bonds (distance) C4'-P energy: -135.017
bonds (distance) P-C4' energy: -141.716
flat angles C4'-P-C4' energy: -167.998
flat angles P-C4'-P energy: -99.809
tors. eta vs tors. theta energy: -197.021
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: 9
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -2170.765351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.765351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.765351 (E_RNA)
where:
Base-Base interactions energy: -1491.797
where: short stacking energy: -598.054
Base-Backbone interact. energy: -1.054
local terms energy: -677.914704
where:
bonds (distance) C4'-P energy: -126.228
bonds (distance) P-C4' energy: -125.822
flat angles C4'-P-C4' energy: -153.856
flat angles P-C4'-P energy: -106.069
tors. eta vs tors. theta energy: -165.940
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: 6, replica: 10
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1903.394233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.394233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.394233 (E_RNA)
where:
Base-Base interactions energy: -1268.684
where: short stacking energy: -527.443
Base-Backbone interact. energy: -0.908
local terms energy: -633.802205
where:
bonds (distance) C4'-P energy: -114.834
bonds (distance) P-C4' energy: -139.046
flat angles C4'-P-C4' energy: -137.090
flat angles P-C4'-P energy: -89.837
tors. eta vs tors. theta energy: -152.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1625.883550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.883550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.883550 (E_RNA)
where:
Base-Base interactions energy: -1019.321
where: short stacking energy: -472.809
Base-Backbone interact. energy: -0.321
local terms energy: -606.241427
where:
bonds (distance) C4'-P energy: -138.359
bonds (distance) P-C4' energy: -118.677
flat angles C4'-P-C4' energy: -149.702
flat angles P-C4'-P energy: -86.039
tors. eta vs tors. theta energy: -113.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1380.319942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.319942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.319942 (E_RNA)
where:
Base-Base interactions energy: -866.748
where: short stacking energy: -393.699
Base-Backbone interact. energy: 3.822
local terms energy: -517.394289
where:
bonds (distance) C4'-P energy: -125.402
bonds (distance) P-C4' energy: -120.303
flat angles C4'-P-C4' energy: -113.275
flat angles P-C4'-P energy: -76.803
tors. eta vs tors. theta energy: -81.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1054.468564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.468564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.468564 (E_RNA)
where:
Base-Base interactions energy: -572.793
where: short stacking energy: -302.817
Base-Backbone interact. energy: 7.855
local terms energy: -489.529947
where:
bonds (distance) C4'-P energy: -128.014
bonds (distance) P-C4' energy: -150.494
flat angles C4'-P-C4' energy: -104.398
flat angles P-C4'-P energy: -61.868
tors. eta vs tors. theta energy: -44.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -537.365352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.365352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.365352 (E_RNA)
where:
Base-Base interactions energy: -165.963
where: short stacking energy: -132.292
Base-Backbone interact. energy: 3.203
local terms energy: -374.605270
where:
bonds (distance) C4'-P energy: -127.063
bonds (distance) P-C4' energy: -116.351
flat angles C4'-P-C4' energy: -99.241
flat angles P-C4'-P energy: -57.335
tors. eta vs tors. theta energy: 25.385
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: 366
Temperature: 0.900000
Total energy: -2673.081788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.081788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.081788 (E_RNA)
where:
Base-Base interactions energy: -1821.906
where: short stacking energy: -779.342
Base-Backbone interact. energy: -2.963
local terms energy: -848.212733
where:
bonds (distance) C4'-P energy: -141.104
bonds (distance) P-C4' energy: -155.764
flat angles C4'-P-C4' energy: -175.339
flat angles P-C4'-P energy: -120.684
tors. eta vs tors. theta energy: -255.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -2594.410329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2594.410329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2594.410329 (E_RNA)
where:
Base-Base interactions energy: -1815.586
where: short stacking energy: -772.425
Base-Backbone interact. energy: -2.304
local terms energy: -776.520530
where:
bonds (distance) C4'-P energy: -136.474
bonds (distance) P-C4' energy: -151.346
flat angles C4'-P-C4' energy: -147.735
flat angles P-C4'-P energy: -114.090
tors. eta vs tors. theta energy: -226.875
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: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -2453.950140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2453.950140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2453.950140 (E_RNA)
where:
Base-Base interactions energy: -1684.867
where: short stacking energy: -715.227
Base-Backbone interact. energy: -3.783
local terms energy: -765.300386
where:
bonds (distance) C4'-P energy: -153.604
bonds (distance) P-C4' energy: -145.370
flat angles C4'-P-C4' energy: -154.103
flat angles P-C4'-P energy: -112.222
tors. eta vs tors. theta energy: -200.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -2356.240127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.240127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.240127 (E_RNA)
where:
Base-Base interactions energy: -1618.765
where: short stacking energy: -653.147
Base-Backbone interact. energy: -1.401
local terms energy: -736.073982
where:
bonds (distance) C4'-P energy: -133.284
bonds (distance) P-C4' energy: -133.148
flat angles C4'-P-C4' energy: -164.357
flat angles P-C4'-P energy: -112.647
tors. eta vs tors. theta energy: -192.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -2219.374133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2219.374133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2219.374133 (E_RNA)
where:
Base-Base interactions energy: -1519.170
where: short stacking energy: -642.459
Base-Backbone interact. energy: -4.154
local terms energy: -696.050205
where:
bonds (distance) C4'-P energy: -124.290
bonds (distance) P-C4' energy: -131.334
flat angles C4'-P-C4' energy: -140.425
flat angles P-C4'-P energy: -110.845
tors. eta vs tors. theta energy: -189.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1950.424231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.424231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.424231 (E_RNA)
where:
Base-Base interactions energy: -1300.393
where: short stacking energy: -571.899
Base-Backbone interact. energy: 1.675
local terms energy: -651.706207
where:
bonds (distance) C4'-P energy: -145.173
bonds (distance) P-C4' energy: -137.819
flat angles C4'-P-C4' energy: -131.084
flat angles P-C4'-P energy: -85.743
tors. eta vs tors. theta energy: -151.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1625.159134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.159134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.159134 (E_RNA)
where:
Base-Base interactions energy: -1042.504
where: short stacking energy: -471.673
Base-Backbone interact. energy: -1.027
local terms energy: -581.628166
where:
bonds (distance) C4'-P energy: -130.669
bonds (distance) P-C4' energy: -132.339
flat angles C4'-P-C4' energy: -121.257
flat angles P-C4'-P energy: -77.671
tors. eta vs tors. theta energy: -119.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1371.879243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.879243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.879243 (E_RNA)
where:
Base-Base interactions energy: -820.780
where: short stacking energy: -374.356
Base-Backbone interact. energy: -1.934
local terms energy: -549.165014
where:
bonds (distance) C4'-P energy: -128.655
bonds (distance) P-C4' energy: -109.265
flat angles C4'-P-C4' energy: -131.938
flat angles P-C4'-P energy: -96.678
tors. eta vs tors. theta energy: -82.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1053.786271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.786271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.786271 (E_RNA)
where:
Base-Base interactions energy: -573.521
where: short stacking energy: -302.597
Base-Backbone interact. energy: -1.642
local terms energy: -478.623144
where:
bonds (distance) C4'-P energy: -108.946
bonds (distance) P-C4' energy: -129.939
flat angles C4'-P-C4' energy: -104.265
flat angles P-C4'-P energy: -87.292
tors. eta vs tors. theta energy: -48.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -535.701961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.701961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.701961 (E_RNA)
where:
Base-Base interactions energy: -168.975
where: short stacking energy: -120.070
Base-Backbone interact. energy: -0.546
local terms energy: -366.180165
where:
bonds (distance) C4'-P energy: -102.404
bonds (distance) P-C4' energy: -122.579
flat angles C4'-P-C4' energy: -124.210
flat angles P-C4'-P energy: -68.334
tors. eta vs tors. theta energy: 51.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2675.052161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.052161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.052161 (E_RNA)
where:
Base-Base interactions energy: -1840.493
where: short stacking energy: -775.621
Base-Backbone interact. energy: -1.480
local terms energy: -833.078770
where:
bonds (distance) C4'-P energy: -141.027
bonds (distance) P-C4' energy: -149.810
flat angles C4'-P-C4' energy: -173.850
flat angles P-C4'-P energy: -121.829
tors. eta vs tors. theta energy: -246.563
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: 2
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -2593.558354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.558354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.558354 (E_RNA)
where:
Base-Base interactions energy: -1802.641
where: short stacking energy: -767.108
Base-Backbone interact. energy: -3.508
local terms energy: -787.409439
where:
bonds (distance) C4'-P energy: -136.015
bonds (distance) P-C4' energy: -139.143
flat angles C4'-P-C4' energy: -168.343
flat angles P-C4'-P energy: -115.078
tors. eta vs tors. theta energy: -228.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -2408.736505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2408.736505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2408.736505 (E_RNA)
where:
Base-Base interactions energy: -1681.687
where: short stacking energy: -705.291
Base-Backbone interact. energy: 0.012
local terms energy: -727.062100
where:
bonds (distance) C4'-P energy: -137.713
bonds (distance) P-C4' energy: -132.739
flat angles C4'-P-C4' energy: -136.069
flat angles P-C4'-P energy: -103.727
tors. eta vs tors. theta energy: -216.814
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: 8
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -2367.905095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.905095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.905095 (E_RNA)
where:
Base-Base interactions energy: -1637.343
where: short stacking energy: -650.364
Base-Backbone interact. energy: 1.432
local terms energy: -731.993968
where:
bonds (distance) C4'-P energy: -152.912
bonds (distance) P-C4' energy: -138.301
flat angles C4'-P-C4' energy: -148.267
flat angles P-C4'-P energy: -106.432
tors. eta vs tors. theta energy: -186.081
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: 5, replica: 9
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -2143.315825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2143.315825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2143.315825 (E_RNA)
where:
Base-Base interactions energy: -1478.122
where: short stacking energy: -608.463
Base-Backbone interact. energy: -0.528
local terms energy: -664.665759
where:
bonds (distance) C4'-P energy: -124.904
bonds (distance) P-C4' energy: -124.512
flat angles C4'-P-C4' energy: -153.385
flat angles P-C4'-P energy: -94.513
tors. eta vs tors. theta energy: -167.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1970.411568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.411568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.411568 (E_RNA)
where:
Base-Base interactions energy: -1327.792
where: short stacking energy: -563.943
Base-Backbone interact. energy: -1.469
local terms energy: -641.151251
where:
bonds (distance) C4'-P energy: -119.080
bonds (distance) P-C4' energy: -139.887
flat angles C4'-P-C4' energy: -141.743
flat angles P-C4'-P energy: -93.260
tors. eta vs tors. theta energy: -147.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1604.184466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.184466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.184466 (E_RNA)
where:
Base-Base interactions energy: -1003.853
where: short stacking energy: -410.229
Base-Backbone interact. energy: -1.253
local terms energy: -599.078132
where:
bonds (distance) C4'-P energy: -133.670
bonds (distance) P-C4' energy: -130.975
flat angles C4'-P-C4' energy: -124.552
flat angles P-C4'-P energy: -95.762
tors. eta vs tors. theta energy: -114.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1349.102403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.102403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.102403 (E_RNA)
where:
Base-Base interactions energy: -808.554
where: short stacking energy: -387.008
Base-Backbone interact. energy: -1.341
local terms energy: -539.207336
where:
bonds (distance) C4'-P energy: -129.064
bonds (distance) P-C4' energy: -131.578
flat angles C4'-P-C4' energy: -127.234
flat angles P-C4'-P energy: -73.776
tors. eta vs tors. theta energy: -77.555
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: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1026.105804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.105804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.105804 (E_RNA)
where:
Base-Base interactions energy: -544.383
where: short stacking energy: -254.555
Base-Backbone interact. energy: -2.551
local terms energy: -479.171242
where:
bonds (distance) C4'-P energy: -126.055
bonds (distance) P-C4' energy: -119.157
flat angles C4'-P-C4' energy: -134.467
flat angles P-C4'-P energy: -63.241
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -559.752836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.752836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.752836 (E_RNA)
where:
Base-Base interactions energy: -160.435
where: short stacking energy: -136.690
Base-Backbone interact. energy: -3.615
local terms energy: -395.703386
where:
bonds (distance) C4'-P energy: -131.597
bonds (distance) P-C4' energy: -122.854
flat angles C4'-P-C4' energy: -112.466
flat angles P-C4'-P energy: -72.166
tors. eta vs tors. theta energy: 43.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2675.635052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.635052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.635052 (E_RNA)
where:
Base-Base interactions energy: -1844.072
where: short stacking energy: -773.934
Base-Backbone interact. energy: -2.895
local terms energy: -828.668737
where:
bonds (distance) C4'-P energy: -144.464
bonds (distance) P-C4' energy: -153.704
flat angles C4'-P-C4' energy: -175.011
flat angles P-C4'-P energy: -113.002
tors. eta vs tors. theta energy: -242.487
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: 368
Temperature: 0.950000
Total energy: -2595.913207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.913207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.913207 (E_RNA)
where:
Base-Base interactions energy: -1778.786
where: short stacking energy: -741.511
Base-Backbone interact. energy: -3.297
local terms energy: -813.829793
where:
bonds (distance) C4'-P energy: -137.415
bonds (distance) P-C4' energy: -153.259
flat angles C4'-P-C4' energy: -174.462
flat angles P-C4'-P energy: -112.352
tors. eta vs tors. theta energy: -236.342
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: 3, replica: 3
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -2405.551589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.551589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.551589 (E_RNA)
where:
Base-Base interactions energy: -1655.252
where: short stacking energy: -673.648
Base-Backbone interact. energy: -2.898
local terms energy: -747.401475
where:
bonds (distance) C4'-P energy: -130.329
bonds (distance) P-C4' energy: -150.200
flat angles C4'-P-C4' energy: -158.314
flat angles P-C4'-P energy: -100.204
tors. eta vs tors. theta energy: -208.354
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: 8
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -2343.894593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.894593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.894593 (E_RNA)
where:
Base-Base interactions energy: -1616.520
where: short stacking energy: -672.139
Base-Backbone interact. energy: -7.091
local terms energy: -720.283473
where:
bonds (distance) C4'-P energy: -140.236
bonds (distance) P-C4' energy: -128.741
flat angles C4'-P-C4' energy: -156.174
flat angles P-C4'-P energy: -101.469
tors. eta vs tors. theta energy: -193.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -2169.180203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2169.180203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2169.180203 (E_RNA)
where:
Base-Base interactions energy: -1457.059
where: short stacking energy: -613.699
Base-Backbone interact. energy: 1.359
local terms energy: -713.480183
where:
bonds (distance) C4'-P energy: -136.649
bonds (distance) P-C4' energy: -155.259
flat angles C4'-P-C4' energy: -145.290
flat angles P-C4'-P energy: -102.109
tors. eta vs tors. theta energy: -174.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1961.994413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.994413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.994413 (E_RNA)
where:
Base-Base interactions energy: -1290.431
where: short stacking energy: -543.562
Base-Backbone interact. energy: 1.214
local terms energy: -672.777031
where:
bonds (distance) C4'-P energy: -125.623
bonds (distance) P-C4' energy: -124.980
flat angles C4'-P-C4' energy: -167.822
flat angles P-C4'-P energy: -90.889
tors. eta vs tors. theta energy: -163.464
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: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1569.822743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.822743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.822743 (E_RNA)
where:
Base-Base interactions energy: -1005.264
where: short stacking energy: -461.284
Base-Backbone interact. energy: -2.689
local terms energy: -561.869455
where:
bonds (distance) C4'-P energy: -124.526
bonds (distance) P-C4' energy: -124.184
flat angles C4'-P-C4' energy: -139.163
flat angles P-C4'-P energy: -78.414
tors. eta vs tors. theta energy: -95.582
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: 4
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1422.166189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.166189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.166189 (E_RNA)
where:
Base-Base interactions energy: -866.084
where: short stacking energy: -419.075
Base-Backbone interact. energy: 4.990
local terms energy: -561.072334
where:
bonds (distance) C4'-P energy: -144.239
bonds (distance) P-C4' energy: -136.287
flat angles C4'-P-C4' energy: -126.902
flat angles P-C4'-P energy: -57.382
tors. eta vs tors. theta energy: -96.262
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: 7
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1154.585748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.585748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.585748 (E_RNA)
where:
Base-Base interactions energy: -691.239
where: short stacking energy: -323.354
Base-Backbone interact. energy: 5.646
local terms energy: -468.993106
where:
bonds (distance) C4'-P energy: -116.249
bonds (distance) P-C4' energy: -132.994
flat angles C4'-P-C4' energy: -113.877
flat angles P-C4'-P energy: -69.940
tors. eta vs tors. theta energy: -35.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -614.754077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.754077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.754077 (E_RNA)
where:
Base-Base interactions energy: -233.110
where: short stacking energy: -155.057
Base-Backbone interact. energy: 6.493
local terms energy: -388.137038
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -129.762
flat angles C4'-P-C4' energy: -127.451
flat angles P-C4'-P energy: -45.742
tors. eta vs tors. theta energy: 20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2684.902032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.902032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.902032 (E_RNA)
where:
Base-Base interactions energy: -1839.214
where: short stacking energy: -779.374
Base-Backbone interact. energy: -2.063
local terms energy: -843.625066
where:
bonds (distance) C4'-P energy: -151.763
bonds (distance) P-C4' energy: -158.153
flat angles C4'-P-C4' energy: -178.233
flat angles P-C4'-P energy: -110.542
tors. eta vs tors. theta energy: -244.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -2590.333229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.333229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.333229 (E_RNA)
where:
Base-Base interactions energy: -1770.037
where: short stacking energy: -733.349
Base-Backbone interact. energy: -2.471
local terms energy: -817.825601
where:
bonds (distance) C4'-P energy: -159.149
bonds (distance) P-C4' energy: -141.180
flat angles C4'-P-C4' energy: -166.347
flat angles P-C4'-P energy: -119.717
tors. eta vs tors. theta energy: -231.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -2426.614832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.614832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.614832 (E_RNA)
where:
Base-Base interactions energy: -1670.625
where: short stacking energy: -670.249
Base-Backbone interact. energy: 1.373
local terms energy: -757.362135
where:
bonds (distance) C4'-P energy: -160.850
bonds (distance) P-C4' energy: -145.193
flat angles C4'-P-C4' energy: -149.534
flat angles P-C4'-P energy: -98.291
tors. eta vs tors. theta energy: -203.494
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: 8
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -2337.514097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2337.514097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2337.514097 (E_RNA)
where:
Base-Base interactions energy: -1589.897
where: short stacking energy: -653.620
Base-Backbone interact. energy: -2.517
local terms energy: -745.100041
where:
bonds (distance) C4'-P energy: -138.891
bonds (distance) P-C4' energy: -152.277
flat angles C4'-P-C4' energy: -165.098
flat angles P-C4'-P energy: -103.612
tors. eta vs tors. theta energy: -185.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -2205.530276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.530276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.530276 (E_RNA)
where:
Base-Base interactions energy: -1512.715
where: short stacking energy: -592.176
Base-Backbone interact. energy: -4.976
local terms energy: -687.839567
where:
bonds (distance) C4'-P energy: -139.041
bonds (distance) P-C4' energy: -136.249
flat angles C4'-P-C4' energy: -152.371
flat angles P-C4'-P energy: -88.477
tors. eta vs tors. theta energy: -171.701
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1992.326906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.326906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.326906 (E_RNA)
where:
Base-Base interactions energy: -1339.182
where: short stacking energy: -569.215
Base-Backbone interact. energy: 1.393
local terms energy: -654.537790
where:
bonds (distance) C4'-P energy: -116.471
bonds (distance) P-C4' energy: -141.798
flat angles C4'-P-C4' energy: -145.074
flat angles P-C4'-P energy: -97.255
tors. eta vs tors. theta energy: -153.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1561.663527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.663527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.663527 (E_RNA)
where:
Base-Base interactions energy: -987.439
where: short stacking energy: -455.917
Base-Backbone interact. energy: -3.215
local terms energy: -571.010457
where:
bonds (distance) C4'-P energy: -109.663
bonds (distance) P-C4' energy: -122.608
flat angles C4'-P-C4' energy: -139.436
flat angles P-C4'-P energy: -87.293
tors. eta vs tors. theta energy: -112.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1397.177893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.177893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.177893 (E_RNA)
where:
Base-Base interactions energy: -855.202
where: short stacking energy: -414.716
Base-Backbone interact. energy: 2.720
local terms energy: -544.696383
where:
bonds (distance) C4'-P energy: -114.049
bonds (distance) P-C4' energy: -142.567
flat angles C4'-P-C4' energy: -121.779
flat angles P-C4'-P energy: -70.541
tors. eta vs tors. theta energy: -95.761
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: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1150.961141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.961141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.961141 (E_RNA)
where:
Base-Base interactions energy: -697.815
where: short stacking energy: -333.575
Base-Backbone interact. energy: 7.531
local terms energy: -460.677434
where:
bonds (distance) C4'-P energy: -107.135
bonds (distance) P-C4' energy: -131.952
flat angles C4'-P-C4' energy: -112.273
flat angles P-C4'-P energy: -62.741
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -553.781696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.781696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.781696 (E_RNA)
where:
Base-Base interactions energy: -163.505
where: short stacking energy: -133.473
Base-Backbone interact. energy: 7.379
local terms energy: -397.655525
where:
bonds (distance) C4'-P energy: -123.517
bonds (distance) P-C4' energy: -141.485
flat angles C4'-P-C4' energy: -93.572
flat angles P-C4'-P energy: -60.473
tors. eta vs tors. theta energy: 21.392
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: 370
Temperature: 0.900000
Total energy: -2667.580857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.580857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.580857 (E_RNA)
where:
Base-Base interactions energy: -1818.796
where: short stacking energy: -769.447
Base-Backbone interact. energy: -1.680
local terms energy: -847.104772
where:
bonds (distance) C4'-P energy: -156.040
bonds (distance) P-C4' energy: -155.290
flat angles C4'-P-C4' energy: -182.113
flat angles P-C4'-P energy: -111.426
tors. eta vs tors. theta energy: -242.235
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: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -2596.548736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.548736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.548736 (E_RNA)
where:
Base-Base interactions energy: -1768.125
where: short stacking energy: -744.126
Base-Backbone interact. energy: -5.219
local terms energy: -823.204882
where:
bonds (distance) C4'-P energy: -145.760
bonds (distance) P-C4' energy: -151.161
flat angles C4'-P-C4' energy: -181.819
flat angles P-C4'-P energy: -117.626
tors. eta vs tors. theta energy: -226.840
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: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -2407.384686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2407.384686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2407.384686 (E_RNA)
where:
Base-Base interactions energy: -1659.042
where: short stacking energy: -677.361
Base-Backbone interact. energy: 3.936
local terms energy: -752.279529
where:
bonds (distance) C4'-P energy: -143.684
bonds (distance) P-C4' energy: -138.346
flat angles C4'-P-C4' energy: -160.805
flat angles P-C4'-P energy: -102.528
tors. eta vs tors. theta energy: -206.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -2292.150112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.150112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.150112 (E_RNA)
where:
Base-Base interactions energy: -1573.257
where: short stacking energy: -632.286
Base-Backbone interact. energy: -0.542
local terms energy: -718.351515
where:
bonds (distance) C4'-P energy: -135.778
bonds (distance) P-C4' energy: -149.254
flat angles C4'-P-C4' energy: -158.464
flat angles P-C4'-P energy: -97.278
tors. eta vs tors. theta energy: -177.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -2266.802925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2266.802925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2266.802925 (E_RNA)
where:
Base-Base interactions energy: -1547.160
where: short stacking energy: -655.295
Base-Backbone interact. energy: -2.649
local terms energy: -716.993658
where:
bonds (distance) C4'-P energy: -133.426
bonds (distance) P-C4' energy: -136.075
flat angles C4'-P-C4' energy: -151.659
flat angles P-C4'-P energy: -104.909
tors. eta vs tors. theta energy: -190.925
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: 370
Temperature: 1.150000
Total energy: -1991.021065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.021065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.021065 (E_RNA)
where:
Base-Base interactions energy: -1332.831
where: short stacking energy: -559.716
Base-Backbone interact. energy: -3.932
local terms energy: -654.258129
where:
bonds (distance) C4'-P energy: -132.737
bonds (distance) P-C4' energy: -139.448
flat angles C4'-P-C4' energy: -136.731
flat angles P-C4'-P energy: -89.311
tors. eta vs tors. theta energy: -156.030
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: 6
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1513.365467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.365467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.365467 (E_RNA)
where:
Base-Base interactions energy: -958.275
where: short stacking energy: -443.695
Base-Backbone interact. energy: -0.555
local terms energy: -554.536117
where:
bonds (distance) C4'-P energy: -131.475
bonds (distance) P-C4' energy: -143.092
flat angles C4'-P-C4' energy: -112.117
flat angles P-C4'-P energy: -74.224
tors. eta vs tors. theta energy: -93.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1375.610863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.610863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.610863 (E_RNA)
where:
Base-Base interactions energy: -848.151
where: short stacking energy: -383.256
Base-Backbone interact. energy: -1.364
local terms energy: -526.095339
where:
bonds (distance) C4'-P energy: -107.009
bonds (distance) P-C4' energy: -129.249
flat angles C4'-P-C4' energy: -136.703
flat angles P-C4'-P energy: -76.472
tors. eta vs tors. theta energy: -76.662
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1180.229630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.229630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.229630 (E_RNA)
where:
Base-Base interactions energy: -695.346
where: short stacking energy: -349.894
Base-Backbone interact. energy: 0.887
local terms energy: -485.771074
where:
bonds (distance) C4'-P energy: -104.775
bonds (distance) P-C4' energy: -130.932
flat angles C4'-P-C4' energy: -131.065
flat angles P-C4'-P energy: -68.020
tors. eta vs tors. theta energy: -50.979
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: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -566.744272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.744272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.744272 (E_RNA)
where:
Base-Base interactions energy: -168.625
where: short stacking energy: -141.046
Base-Backbone interact. energy: -1.870
local terms energy: -396.249059
where:
bonds (distance) C4'-P energy: -115.340
bonds (distance) P-C4' energy: -148.025
flat angles C4'-P-C4' energy: -97.694
flat angles P-C4'-P energy: -61.394
tors. eta vs tors. theta energy: 26.205
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: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2665.501473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.501473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.501473 (E_RNA)
where:
Base-Base interactions energy: -1815.819
where: short stacking energy: -793.234
Base-Backbone interact. energy: 1.906
local terms energy: -851.587919
where:
bonds (distance) C4'-P energy: -160.017
bonds (distance) P-C4' energy: -148.175
flat angles C4'-P-C4' energy: -169.562
flat angles P-C4'-P energy: -117.461
tors. eta vs tors. theta energy: -256.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2631.307754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.307754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.307754 (E_RNA)
where:
Base-Base interactions energy: -1817.277
where: short stacking energy: -778.514
Base-Backbone interact. energy: 0.444
local terms energy: -814.474240
where:
bonds (distance) C4'-P energy: -141.378
bonds (distance) P-C4' energy: -147.511
flat angles C4'-P-C4' energy: -174.889
flat angles P-C4'-P energy: -110.901
tors. eta vs tors. theta energy: -239.795
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: 371
Temperature: 1.000000
Total energy: -2460.173179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2460.173179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2460.173179 (E_RNA)
where:
Base-Base interactions energy: -1700.347
where: short stacking energy: -687.381
Base-Backbone interact. energy: -4.335
local terms energy: -755.491817
where:
bonds (distance) C4'-P energy: -140.924
bonds (distance) P-C4' energy: -139.669
flat angles C4'-P-C4' energy: -170.037
flat angles P-C4'-P energy: -106.106
tors. eta vs tors. theta energy: -198.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -2300.813767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2300.813767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2300.813767 (E_RNA)
where:
Base-Base interactions energy: -1573.544
where: short stacking energy: -636.383
Base-Backbone interact. energy: -0.152
local terms energy: -727.118257
where:
bonds (distance) C4'-P energy: -128.107
bonds (distance) P-C4' energy: -125.120
flat angles C4'-P-C4' energy: -167.390
flat angles P-C4'-P energy: -102.770
tors. eta vs tors. theta energy: -203.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -2269.039906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2269.039906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2269.039906 (E_RNA)
where:
Base-Base interactions energy: -1569.839
where: short stacking energy: -647.379
Base-Backbone interact. energy: -3.205
local terms energy: -695.995974
where:
bonds (distance) C4'-P energy: -121.127
bonds (distance) P-C4' energy: -140.243
flat angles C4'-P-C4' energy: -158.407
flat angles P-C4'-P energy: -74.175
tors. eta vs tors. theta energy: -202.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -2003.960017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.960017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.960017 (E_RNA)
where:
Base-Base interactions energy: -1322.588
where: short stacking energy: -585.963
Base-Backbone interact. energy: 2.220
local terms energy: -683.591739
where:
bonds (distance) C4'-P energy: -146.263
bonds (distance) P-C4' energy: -137.099
flat angles C4'-P-C4' energy: -156.683
flat angles P-C4'-P energy: -80.161
tors. eta vs tors. theta energy: -163.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1541.408718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.408718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.408718 (E_RNA)
where:
Base-Base interactions energy: -962.735
where: short stacking energy: -451.252
Base-Backbone interact. energy: -1.253
local terms energy: -577.420207
where:
bonds (distance) C4'-P energy: -118.174
bonds (distance) P-C4' energy: -124.196
flat angles C4'-P-C4' energy: -151.766
flat angles P-C4'-P energy: -85.241
tors. eta vs tors. theta energy: -98.043
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: 4
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1411.898499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.898499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.898499 (E_RNA)
where:
Base-Base interactions energy: -881.487
where: short stacking energy: -391.293
Base-Backbone interact. energy: 5.505
local terms energy: -535.916285
where:
bonds (distance) C4'-P energy: -123.312
bonds (distance) P-C4' energy: -135.586
flat angles C4'-P-C4' energy: -123.741
flat angles P-C4'-P energy: -78.674
tors. eta vs tors. theta energy: -74.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1144.670600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.670600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.670600 (E_RNA)
where:
Base-Base interactions energy: -654.811
where: short stacking energy: -314.794
Base-Backbone interact. energy: 8.068
local terms energy: -497.927712
where:
bonds (distance) C4'-P energy: -129.465
bonds (distance) P-C4' energy: -109.410
flat angles C4'-P-C4' energy: -124.065
flat angles P-C4'-P energy: -83.774
tors. eta vs tors. theta energy: -51.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -561.992727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.992727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.992727 (E_RNA)
where:
Base-Base interactions energy: -205.771
where: short stacking energy: -167.225
Base-Backbone interact. energy: -2.354
local terms energy: -353.867308
where:
bonds (distance) C4'-P energy: -95.965
bonds (distance) P-C4' energy: -131.918
flat angles C4'-P-C4' energy: -102.084
flat angles P-C4'-P energy: -50.062
tors. eta vs tors. theta energy: 26.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2707.186556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.186556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.186556 (E_RNA)
where:
Base-Base interactions energy: -1844.438
where: short stacking energy: -798.265
Base-Backbone interact. energy: -2.603
local terms energy: -860.146020
where:
bonds (distance) C4'-P energy: -154.186
bonds (distance) P-C4' energy: -141.704
flat angles C4'-P-C4' energy: -185.170
flat angles P-C4'-P energy: -129.677
tors. eta vs tors. theta energy: -249.410
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: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -2646.755043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2646.755043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2646.755043 (E_RNA)
where:
Base-Base interactions energy: -1834.071
where: short stacking energy: -758.448
Base-Backbone interact. energy: -2.152
local terms energy: -810.531207
where:
bonds (distance) C4'-P energy: -151.271
bonds (distance) P-C4' energy: -142.535
flat angles C4'-P-C4' energy: -164.492
flat angles P-C4'-P energy: -119.342
tors. eta vs tors. theta energy: -232.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -2405.217906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2405.217906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2405.217906 (E_RNA)
where:
Base-Base interactions energy: -1683.664
where: short stacking energy: -659.011
Base-Backbone interact. energy: -1.229
local terms energy: -720.324537
where:
bonds (distance) C4'-P energy: -137.316
bonds (distance) P-C4' energy: -140.953
flat angles C4'-P-C4' energy: -152.939
flat angles P-C4'-P energy: -87.231
tors. eta vs tors. theta energy: -201.885
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: 372
Temperature: 1.050000
Total energy: -2374.095607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2374.095607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2374.095607 (E_RNA)
where:
Base-Base interactions energy: -1627.225
where: short stacking energy: -653.689
Base-Backbone interact. energy: -3.303
local terms energy: -743.568181
where:
bonds (distance) C4'-P energy: -146.849
bonds (distance) P-C4' energy: -150.489
flat angles C4'-P-C4' energy: -154.202
flat angles P-C4'-P energy: -105.286
tors. eta vs tors. theta energy: -186.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -2235.422851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2235.422851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2235.422851 (E_RNA)
where:
Base-Base interactions energy: -1523.778
where: short stacking energy: -656.150
Base-Backbone interact. energy: -3.322
local terms energy: -708.322441
where:
bonds (distance) C4'-P energy: -122.567
bonds (distance) P-C4' energy: -138.552
flat angles C4'-P-C4' energy: -152.721
flat angles P-C4'-P energy: -103.103
tors. eta vs tors. theta energy: -191.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1977.276977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.276977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.276977 (E_RNA)
where:
Base-Base interactions energy: -1327.046
where: short stacking energy: -594.644
Base-Backbone interact. energy: 0.739
local terms energy: -650.969769
where:
bonds (distance) C4'-P energy: -131.095
bonds (distance) P-C4' energy: -125.478
flat angles C4'-P-C4' energy: -147.688
flat angles P-C4'-P energy: -83.694
tors. eta vs tors. theta energy: -163.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1576.597940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.597940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.597940 (E_RNA)
where:
Base-Base interactions energy: -1010.178
where: short stacking energy: -483.859
Base-Backbone interact. energy: -3.922
local terms energy: -562.497956
where:
bonds (distance) C4'-P energy: -132.070
bonds (distance) P-C4' energy: -131.528
flat angles C4'-P-C4' energy: -137.696
flat angles P-C4'-P energy: -55.191
tors. eta vs tors. theta energy: -106.012
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: 372
Temperature: 1.250000
Total energy: -1377.070855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.070855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.070855 (E_RNA)
where:
Base-Base interactions energy: -855.562
where: short stacking energy: -391.200
Base-Backbone interact. energy: 2.470
local terms energy: -523.979231
where:
bonds (distance) C4'-P energy: -134.930
bonds (distance) P-C4' energy: -130.617
flat angles C4'-P-C4' energy: -139.691
flat angles P-C4'-P energy: -68.756
tors. eta vs tors. theta energy: -49.985
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: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1130.277214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.277214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.277214 (E_RNA)
where:
Base-Base interactions energy: -688.706
where: short stacking energy: -311.931
Base-Backbone interact. energy: -1.394
local terms energy: -440.177513
where:
bonds (distance) C4'-P energy: -129.722
bonds (distance) P-C4' energy: -130.985
flat angles C4'-P-C4' energy: -108.680
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -551.522003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.522003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.522003 (E_RNA)
where:
Base-Base interactions energy: -175.431
where: short stacking energy: -142.641
Base-Backbone interact. energy: -0.894
local terms energy: -375.196618
where:
bonds (distance) C4'-P energy: -129.627
bonds (distance) P-C4' energy: -117.703
flat angles C4'-P-C4' energy: -82.713
flat angles P-C4'-P energy: -51.898
tors. eta vs tors. theta energy: 6.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2684.285508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.285508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.285508 (E_RNA)
where:
Base-Base interactions energy: -1837.548
where: short stacking energy: -770.197
Base-Backbone interact. energy: 0.230
local terms energy: -846.968151
where:
bonds (distance) C4'-P energy: -142.391
bonds (distance) P-C4' energy: -158.221
flat angles C4'-P-C4' energy: -187.093
flat angles P-C4'-P energy: -108.868
tors. eta vs tors. theta energy: -250.397
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: 2
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2659.897442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.897442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.897442 (E_RNA)
where:
Base-Base interactions energy: -1852.734
where: short stacking energy: -746.887
Base-Backbone interact. energy: -2.708
local terms energy: -804.455326
where:
bonds (distance) C4'-P energy: -142.610
bonds (distance) P-C4' energy: -149.540
flat angles C4'-P-C4' energy: -164.117
flat angles P-C4'-P energy: -115.537
tors. eta vs tors. theta energy: -232.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -2455.971075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.971075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.971075 (E_RNA)
where:
Base-Base interactions energy: -1712.231
where: short stacking energy: -702.893
Base-Backbone interact. energy: -1.734
local terms energy: -742.006736
where:
bonds (distance) C4'-P energy: -133.149
bonds (distance) P-C4' energy: -140.466
flat angles C4'-P-C4' energy: -153.025
flat angles P-C4'-P energy: -105.773
tors. eta vs tors. theta energy: -209.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -2363.916121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.916121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.916121 (E_RNA)
where:
Base-Base interactions energy: -1609.519
where: short stacking energy: -679.727
Base-Backbone interact. energy: -2.056
local terms energy: -752.340959
where:
bonds (distance) C4'-P energy: -149.394
bonds (distance) P-C4' energy: -142.994
flat angles C4'-P-C4' energy: -150.242
flat angles P-C4'-P energy: -107.134
tors. eta vs tors. theta energy: -202.575
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: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -2230.969259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.969259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.969259 (E_RNA)
where:
Base-Base interactions energy: -1545.319
where: short stacking energy: -613.114
Base-Backbone interact. energy: -4.147
local terms energy: -681.503952
where:
bonds (distance) C4'-P energy: -113.870
bonds (distance) P-C4' energy: -130.927
flat angles C4'-P-C4' energy: -148.564
flat angles P-C4'-P energy: -114.530
tors. eta vs tors. theta energy: -173.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1996.264438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.264438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.264438 (E_RNA)
where:
Base-Base interactions energy: -1345.638
where: short stacking energy: -569.727
Base-Backbone interact. energy: -1.148
local terms energy: -649.478071
where:
bonds (distance) C4'-P energy: -121.397
bonds (distance) P-C4' energy: -116.474
flat angles C4'-P-C4' energy: -156.748
flat angles P-C4'-P energy: -112.994
tors. eta vs tors. theta energy: -141.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1545.750137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.750137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.750137 (E_RNA)
where:
Base-Base interactions energy: -986.564
where: short stacking energy: -456.810
Base-Backbone interact. energy: -3.764
local terms energy: -555.422001
where:
bonds (distance) C4'-P energy: -112.113
bonds (distance) P-C4' energy: -129.741
flat angles C4'-P-C4' energy: -132.820
flat angles P-C4'-P energy: -77.503
tors. eta vs tors. theta energy: -103.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1307.584189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.584189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.584189 (E_RNA)
where:
Base-Base interactions energy: -773.324
where: short stacking energy: -359.194
Base-Backbone interact. energy: -0.807
local terms energy: -533.452999
where:
bonds (distance) C4'-P energy: -100.819
bonds (distance) P-C4' energy: -136.246
flat angles C4'-P-C4' energy: -129.188
flat angles P-C4'-P energy: -89.265
tors. eta vs tors. theta energy: -77.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1209.015526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.015526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.015526 (E_RNA)
where:
Base-Base interactions energy: -729.053
where: short stacking energy: -355.016
Base-Backbone interact. energy: 3.752
local terms energy: -483.714549
where:
bonds (distance) C4'-P energy: -114.942
bonds (distance) P-C4' energy: -112.114
flat angles C4'-P-C4' energy: -131.081
flat angles P-C4'-P energy: -79.953
tors. eta vs tors. theta energy: -45.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -584.531435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.531435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.531435 (E_RNA)
where:
Base-Base interactions energy: -219.755
where: short stacking energy: -159.145
Base-Backbone interact. energy: -0.552
local terms energy: -364.225208
where:
bonds (distance) C4'-P energy: -121.991
bonds (distance) P-C4' energy: -125.807
flat angles C4'-P-C4' energy: -106.434
flat angles P-C4'-P energy: -33.574
tors. eta vs tors. theta energy: 23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2680.672195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.672195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.672195 (E_RNA)
where:
Base-Base interactions energy: -1871.860
where: short stacking energy: -787.598
Base-Backbone interact. energy: -3.821
local terms energy: -804.990721
where:
bonds (distance) C4'-P energy: -141.389
bonds (distance) P-C4' energy: -129.399
flat angles C4'-P-C4' energy: -172.761
flat angles P-C4'-P energy: -124.907
tors. eta vs tors. theta energy: -236.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -2627.166085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.166085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.166085 (E_RNA)
where:
Base-Base interactions energy: -1822.588
where: short stacking energy: -782.084
Base-Backbone interact. energy: -1.872
local terms energy: -802.705218
where:
bonds (distance) C4'-P energy: -138.477
bonds (distance) P-C4' energy: -139.202
flat angles C4'-P-C4' energy: -173.665
flat angles P-C4'-P energy: -101.116
tors. eta vs tors. theta energy: -250.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -2451.341125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.341125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.341125 (E_RNA)
where:
Base-Base interactions energy: -1676.889
where: short stacking energy: -714.059
Base-Backbone interact. energy: -1.878
local terms energy: -772.573953
where:
bonds (distance) C4'-P energy: -140.398
bonds (distance) P-C4' energy: -151.153
flat angles C4'-P-C4' energy: -166.294
flat angles P-C4'-P energy: -105.105
tors. eta vs tors. theta energy: -209.624
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: 4, replica: 9
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -2259.238192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2259.238192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2259.238192 (E_RNA)
where:
Base-Base interactions energy: -1537.758
where: short stacking energy: -615.986
Base-Backbone interact. energy: -2.269
local terms energy: -719.210900
where:
bonds (distance) C4'-P energy: -131.830
bonds (distance) P-C4' energy: -145.100
flat angles C4'-P-C4' energy: -151.282
flat angles P-C4'-P energy: -103.803
tors. eta vs tors. theta energy: -187.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -2258.938400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2258.938400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2258.938400 (E_RNA)
where:
Base-Base interactions energy: -1526.716
where: short stacking energy: -626.030
Base-Backbone interact. energy: -0.456
local terms energy: -731.766697
where:
bonds (distance) C4'-P energy: -148.175
bonds (distance) P-C4' energy: -148.909
flat angles C4'-P-C4' energy: -137.246
flat angles P-C4'-P energy: -101.448
tors. eta vs tors. theta energy: -195.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1961.274992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.274992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.274992 (E_RNA)
where:
Base-Base interactions energy: -1314.237
where: short stacking energy: -583.026
Base-Backbone interact. energy: -1.399
local terms energy: -645.638888
where:
bonds (distance) C4'-P energy: -127.909
bonds (distance) P-C4' energy: -133.332
flat angles C4'-P-C4' energy: -142.135
flat angles P-C4'-P energy: -95.786
tors. eta vs tors. theta energy: -146.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -1517.733073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.733073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.733073 (E_RNA)
where:
Base-Base interactions energy: -954.115
where: short stacking energy: -446.363
Base-Backbone interact. energy: 2.570
local terms energy: -566.187680
where:
bonds (distance) C4'-P energy: -120.104
bonds (distance) P-C4' energy: -134.662
flat angles C4'-P-C4' energy: -124.656
flat angles P-C4'-P energy: -79.232
tors. eta vs tors. theta energy: -107.533
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: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1333.773301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.773301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.773301 (E_RNA)
where:
Base-Base interactions energy: -802.580
where: short stacking energy: -379.669
Base-Backbone interact. energy: -4.901
local terms energy: -526.292485
where:
bonds (distance) C4'-P energy: -113.730
bonds (distance) P-C4' energy: -134.127
flat angles C4'-P-C4' energy: -128.276
flat angles P-C4'-P energy: -87.439
tors. eta vs tors. theta energy: -62.721
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: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1201.764715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.764715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.764715 (E_RNA)
where:
Base-Base interactions energy: -711.717
where: short stacking energy: -315.979
Base-Backbone interact. energy: -2.968
local terms energy: -487.080034
where:
bonds (distance) C4'-P energy: -126.837
bonds (distance) P-C4' energy: -132.405
flat angles C4'-P-C4' energy: -123.952
flat angles P-C4'-P energy: -62.062
tors. eta vs tors. theta energy: -41.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -569.381207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.381207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.381207 (E_RNA)
where:
Base-Base interactions energy: -208.915
where: short stacking energy: -154.107
Base-Backbone interact. energy: 2.878
local terms energy: -363.343761
where:
bonds (distance) C4'-P energy: -116.941
bonds (distance) P-C4' energy: -121.484
flat angles C4'-P-C4' energy: -109.940
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: 28.484
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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2687.119759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.119759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.119759 (E_RNA)
where:
Base-Base interactions energy: -1881.218
where: short stacking energy: -820.588
Base-Backbone interact. energy: -5.274
local terms energy: -800.627429
where:
bonds (distance) C4'-P energy: -138.821
bonds (distance) P-C4' energy: -145.685
flat angles C4'-P-C4' energy: -167.761
flat angles P-C4'-P energy: -104.535
tors. eta vs tors. theta energy: -243.826
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: 375
Temperature: 0.950000
Total energy: -2621.718878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.718878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.718878 (E_RNA)
where:
Base-Base interactions energy: -1788.898
where: short stacking energy: -757.848
Base-Backbone interact. energy: -1.320
local terms energy: -831.500573
where:
bonds (distance) C4'-P energy: -145.892
bonds (distance) P-C4' energy: -153.361
flat angles C4'-P-C4' energy: -171.521
flat angles P-C4'-P energy: -111.605
tors. eta vs tors. theta energy: -249.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -2428.320942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.320942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.320942 (E_RNA)
where:
Base-Base interactions energy: -1675.810
where: short stacking energy: -699.489
Base-Backbone interact. energy: 0.543
local terms energy: -753.054077
where:
bonds (distance) C4'-P energy: -140.752
bonds (distance) P-C4' energy: -141.294
flat angles C4'-P-C4' energy: -157.868
flat angles P-C4'-P energy: -103.556
tors. eta vs tors. theta energy: -209.584
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: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -2321.635349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.635349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.635349 (E_RNA)
where:
Base-Base interactions energy: -1611.303
where: short stacking energy: -663.045
Base-Backbone interact. energy: 0.861
local terms energy: -711.192731
where:
bonds (distance) C4'-P energy: -118.993
bonds (distance) P-C4' energy: -147.453
flat angles C4'-P-C4' energy: -152.954
flat angles P-C4'-P energy: -103.201
tors. eta vs tors. theta energy: -188.592
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: 9
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -2247.238701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.238701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.238701 (E_RNA)
where:
Base-Base interactions energy: -1562.821
where: short stacking energy: -619.459
Base-Backbone interact. energy: 0.159
local terms energy: -684.577277
where:
bonds (distance) C4'-P energy: -130.841
bonds (distance) P-C4' energy: -139.638
flat angles C4'-P-C4' energy: -143.863
flat angles P-C4'-P energy: -87.015
tors. eta vs tors. theta energy: -183.220
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: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1968.629403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.629403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.629403 (E_RNA)
where:
Base-Base interactions energy: -1315.452
where: short stacking energy: -571.842
Base-Backbone interact. energy: -1.466
local terms energy: -651.711602
where:
bonds (distance) C4'-P energy: -122.175
bonds (distance) P-C4' energy: -122.661
flat angles C4'-P-C4' energy: -150.775
flat angles P-C4'-P energy: -97.935
tors. eta vs tors. theta energy: -158.166
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: 6
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1552.382605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.382605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.382605 (E_RNA)
where:
Base-Base interactions energy: -970.819
where: short stacking energy: -442.824
Base-Backbone interact. energy: -1.629
local terms energy: -579.934940
where:
bonds (distance) C4'-P energy: -123.311
bonds (distance) P-C4' energy: -132.346
flat angles C4'-P-C4' energy: -138.329
flat angles P-C4'-P energy: -86.234
tors. eta vs tors. theta energy: -99.715
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: 4
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1263.694570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.694570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.694570 (E_RNA)
where:
Base-Base interactions energy: -745.221
where: short stacking energy: -357.872
Base-Backbone interact. energy: 7.789
local terms energy: -526.262509
where:
bonds (distance) C4'-P energy: -119.919
bonds (distance) P-C4' energy: -143.341
flat angles C4'-P-C4' energy: -136.036
flat angles P-C4'-P energy: -78.309
tors. eta vs tors. theta energy: -48.657
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: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1151.735508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.735508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.735508 (E_RNA)
where:
Base-Base interactions energy: -646.195
where: short stacking energy: -299.893
Base-Backbone interact. energy: 1.212
local terms energy: -506.752284
where:
bonds (distance) C4'-P energy: -131.472
bonds (distance) P-C4' energy: -131.705
flat angles C4'-P-C4' energy: -130.594
flat angles P-C4'-P energy: -78.407
tors. eta vs tors. theta energy: -34.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -551.183854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.183854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.183854 (E_RNA)
where:
Base-Base interactions energy: -183.507
where: short stacking energy: -145.674
Base-Backbone interact. energy: 1.324
local terms energy: -369.001479
where:
bonds (distance) C4'-P energy: -119.965
bonds (distance) P-C4' energy: -139.683
flat angles C4'-P-C4' energy: -105.529
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: 37.836
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: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2711.107089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.107089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.107089 (E_RNA)
where:
Base-Base interactions energy: -1877.884
where: short stacking energy: -806.516
Base-Backbone interact. energy: -6.334
local terms energy: -826.889110
where:
bonds (distance) C4'-P energy: -150.491
bonds (distance) P-C4' energy: -136.447
flat angles C4'-P-C4' energy: -174.785
flat angles P-C4'-P energy: -117.428
tors. eta vs tors. theta energy: -247.738
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: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -2611.276463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.276463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.276463 (E_RNA)
where:
Base-Base interactions energy: -1791.009
where: short stacking energy: -757.833
Base-Backbone interact. energy: 0.086
local terms energy: -820.353646
where:
bonds (distance) C4'-P energy: -152.195
bonds (distance) P-C4' energy: -140.569
flat angles C4'-P-C4' energy: -179.305
flat angles P-C4'-P energy: -111.018
tors. eta vs tors. theta energy: -237.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -2418.485822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.485822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.485822 (E_RNA)
where:
Base-Base interactions energy: -1659.568
where: short stacking energy: -678.858
Base-Backbone interact. energy: 0.032
local terms energy: -758.950244
where:
bonds (distance) C4'-P energy: -139.154
bonds (distance) P-C4' energy: -143.424
flat angles C4'-P-C4' energy: -173.222
flat angles P-C4'-P energy: -99.920
tors. eta vs tors. theta energy: -203.229
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: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -2294.071310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.071310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.071310 (E_RNA)
where:
Base-Base interactions energy: -1579.252
where: short stacking energy: -650.410
Base-Backbone interact. energy: -0.754
local terms energy: -714.065387
where:
bonds (distance) C4'-P energy: -138.511
bonds (distance) P-C4' energy: -138.737
flat angles C4'-P-C4' energy: -147.455
flat angles P-C4'-P energy: -94.760
tors. eta vs tors. theta energy: -194.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -2190.050074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2190.050074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2190.050074 (E_RNA)
where:
Base-Base interactions energy: -1512.836
where: short stacking energy: -596.557
Base-Backbone interact. energy: -2.700
local terms energy: -674.514745
where:
bonds (distance) C4'-P energy: -117.528
bonds (distance) P-C4' energy: -144.269
flat angles C4'-P-C4' energy: -153.112
flat angles P-C4'-P energy: -101.397
tors. eta vs tors. theta energy: -158.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -2000.669080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.669080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.669080 (E_RNA)
where:
Base-Base interactions energy: -1339.189
where: short stacking energy: -570.833
Base-Backbone interact. energy: -1.855
local terms energy: -659.625265
where:
bonds (distance) C4'-P energy: -132.500
bonds (distance) P-C4' energy: -107.919
flat angles C4'-P-C4' energy: -148.424
flat angles P-C4'-P energy: -108.417
tors. eta vs tors. theta energy: -162.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1543.274083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.274083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.274083 (E_RNA)
where:
Base-Base interactions energy: -951.168
where: short stacking energy: -440.033
Base-Backbone interact. energy: -2.919
local terms energy: -589.186532
where:
bonds (distance) C4'-P energy: -119.112
bonds (distance) P-C4' energy: -127.232
flat angles C4'-P-C4' energy: -141.166
flat angles P-C4'-P energy: -79.335
tors. eta vs tors. theta energy: -122.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1224.691523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.691523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.691523 (E_RNA)
where:
Base-Base interactions energy: -731.536
where: short stacking energy: -349.417
Base-Backbone interact. energy: 12.662
local terms energy: -505.817948
where:
bonds (distance) C4'-P energy: -137.003
bonds (distance) P-C4' energy: -108.073
flat angles C4'-P-C4' energy: -133.143
flat angles P-C4'-P energy: -90.276
tors. eta vs tors. theta energy: -37.324
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: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1125.879538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.879538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.879538 (E_RNA)
where:
Base-Base interactions energy: -664.453
where: short stacking energy: -315.489
Base-Backbone interact. energy: -1.481
local terms energy: -459.945670
where:
bonds (distance) C4'-P energy: -121.771
bonds (distance) P-C4' energy: -138.082
flat angles C4'-P-C4' energy: -115.083
flat angles P-C4'-P energy: -58.377
tors. eta vs tors. theta energy: -26.633
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: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -569.351447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.351447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.351447 (E_RNA)
where:
Base-Base interactions energy: -224.788
where: short stacking energy: -176.315
Base-Backbone interact. energy: -3.735
local terms energy: -340.828854
where:
bonds (distance) C4'-P energy: -103.800
bonds (distance) P-C4' energy: -115.551
flat angles C4'-P-C4' energy: -77.988
flat angles P-C4'-P energy: -58.902
tors. eta vs tors. theta energy: 15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2721.597666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2721.597666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2721.597666 (E_RNA)
where:
Base-Base interactions energy: -1882.410
where: short stacking energy: -794.462
Base-Backbone interact. energy: -5.000
local terms energy: -834.187793
where:
bonds (distance) C4'-P energy: -147.699
bonds (distance) P-C4' energy: -155.610
flat angles C4'-P-C4' energy: -170.700
flat angles P-C4'-P energy: -116.855
tors. eta vs tors. theta energy: -243.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -2583.962523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.962523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.962523 (E_RNA)
where:
Base-Base interactions energy: -1780.046
where: short stacking energy: -762.681
Base-Backbone interact. energy: -2.037
local terms energy: -801.879637
where:
bonds (distance) C4'-P energy: -138.266
bonds (distance) P-C4' energy: -149.926
flat angles C4'-P-C4' energy: -167.118
flat angles P-C4'-P energy: -113.235
tors. eta vs tors. theta energy: -233.334
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: 3
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -2416.499977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2416.499977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2416.499977 (E_RNA)
where:
Base-Base interactions energy: -1651.292
where: short stacking energy: -685.359
Base-Backbone interact. energy: -3.439
local terms energy: -761.769180
where:
bonds (distance) C4'-P energy: -138.442
bonds (distance) P-C4' energy: -136.184
flat angles C4'-P-C4' energy: -162.343
flat angles P-C4'-P energy: -113.878
tors. eta vs tors. theta energy: -210.923
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: 9
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -2283.039624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.039624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.039624 (E_RNA)
where:
Base-Base interactions energy: -1596.496
where: short stacking energy: -634.875
Base-Backbone interact. energy: -4.848
local terms energy: -681.695797
where:
bonds (distance) C4'-P energy: -122.359
bonds (distance) P-C4' energy: -142.959
flat angles C4'-P-C4' energy: -156.596
flat angles P-C4'-P energy: -90.238
tors. eta vs tors. theta energy: -169.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -2292.318723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2292.318723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2292.318723 (E_RNA)
where:
Base-Base interactions energy: -1592.088
where: short stacking energy: -636.468
Base-Backbone interact. energy: -5.934
local terms energy: -694.297042
where:
bonds (distance) C4'-P energy: -116.020
bonds (distance) P-C4' energy: -149.407
flat angles C4'-P-C4' energy: -156.708
flat angles P-C4'-P energy: -83.028
tors. eta vs tors. theta energy: -189.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1991.756179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.756179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.756179 (E_RNA)
where:
Base-Base interactions energy: -1345.878
where: short stacking energy: -574.887
Base-Backbone interact. energy: 6.844
local terms energy: -652.722902
where:
bonds (distance) C4'-P energy: -111.848
bonds (distance) P-C4' energy: -142.203
flat angles C4'-P-C4' energy: -143.401
flat angles P-C4'-P energy: -96.879
tors. eta vs tors. theta energy: -158.392
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: 6
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1621.718077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.718077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.718077 (E_RNA)
where:
Base-Base interactions energy: -1024.351
where: short stacking energy: -448.384
Base-Backbone interact. energy: -4.533
local terms energy: -592.833810
where:
bonds (distance) C4'-P energy: -100.119
bonds (distance) P-C4' energy: -131.850
flat angles C4'-P-C4' energy: -153.210
flat angles P-C4'-P energy: -92.740
tors. eta vs tors. theta energy: -114.915
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: 7
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1188.749258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.749258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.749258 (E_RNA)
where:
Base-Base interactions energy: -707.785
where: short stacking energy: -328.211
Base-Backbone interact. energy: -2.098
local terms energy: -478.867018
where:
bonds (distance) C4'-P energy: -120.325
bonds (distance) P-C4' energy: -134.698
flat angles C4'-P-C4' energy: -129.264
flat angles P-C4'-P energy: -44.839
tors. eta vs tors. theta energy: -49.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1201.189418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.189418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.189418 (E_RNA)
where:
Base-Base interactions energy: -729.091
where: short stacking energy: -348.782
Base-Backbone interact. energy: -1.593
local terms energy: -470.505609
where:
bonds (distance) C4'-P energy: -120.090
bonds (distance) P-C4' energy: -109.813
flat angles C4'-P-C4' energy: -121.574
flat angles P-C4'-P energy: -59.879
tors. eta vs tors. theta energy: -59.149
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: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -566.956277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.956277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.956277 (E_RNA)
where:
Base-Base interactions energy: -186.467
where: short stacking energy: -156.829
Base-Backbone interact. energy: 1.520
local terms energy: -382.009829
where:
bonds (distance) C4'-P energy: -124.605
bonds (distance) P-C4' energy: -115.407
flat angles C4'-P-C4' energy: -108.969
flat angles P-C4'-P energy: -67.550
tors. eta vs tors. theta energy: 34.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2710.001852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.001852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.001852 (E_RNA)
where:
Base-Base interactions energy: -1835.991
where: short stacking energy: -775.572
Base-Backbone interact. energy: -6.895
local terms energy: -867.115508
where:
bonds (distance) C4'-P energy: -151.273
bonds (distance) P-C4' energy: -155.774
flat angles C4'-P-C4' energy: -175.901
flat angles P-C4'-P energy: -136.337
tors. eta vs tors. theta energy: -247.830
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: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -2609.906719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.906719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.906719 (E_RNA)
where:
Base-Base interactions energy: -1775.606
where: short stacking energy: -761.098
Base-Backbone interact. energy: -1.102
local terms energy: -833.198423
where:
bonds (distance) C4'-P energy: -146.293
bonds (distance) P-C4' energy: -154.764
flat angles C4'-P-C4' energy: -172.078
flat angles P-C4'-P energy: -123.694
tors. eta vs tors. theta energy: -236.371
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: 3
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -2490.023836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.023836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.023836 (E_RNA)
where:
Base-Base interactions energy: -1717.740
where: short stacking energy: -711.260
Base-Backbone interact. energy: -1.683
local terms energy: -770.600566
where:
bonds (distance) C4'-P energy: -149.561
bonds (distance) P-C4' energy: -142.195
flat angles C4'-P-C4' energy: -162.022
flat angles P-C4'-P energy: -111.704
tors. eta vs tors. theta energy: -205.118
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: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -2282.080151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2282.080151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2282.080151 (E_RNA)
where:
Base-Base interactions energy: -1581.083
where: short stacking energy: -615.584
Base-Backbone interact. energy: 1.104
local terms energy: -702.101387
where:
bonds (distance) C4'-P energy: -144.818
bonds (distance) P-C4' energy: -131.591
flat angles C4'-P-C4' energy: -152.513
flat angles P-C4'-P energy: -105.549
tors. eta vs tors. theta energy: -167.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -2274.995227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2274.995227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2274.995227 (E_RNA)
where:
Base-Base interactions energy: -1564.766
where: short stacking energy: -634.720
Base-Backbone interact. energy: 2.998
local terms energy: -713.227188
where:
bonds (distance) C4'-P energy: -130.246
bonds (distance) P-C4' energy: -135.800
flat angles C4'-P-C4' energy: -160.718
flat angles P-C4'-P energy: -97.093
tors. eta vs tors. theta energy: -189.370
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: 10
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -2004.815655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.815655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.815655 (E_RNA)
where:
Base-Base interactions energy: -1347.204
where: short stacking energy: -588.858
Base-Backbone interact. energy: -4.841
local terms energy: -652.770406
where:
bonds (distance) C4'-P energy: -122.573
bonds (distance) P-C4' energy: -127.739
flat angles C4'-P-C4' energy: -136.166
flat angles P-C4'-P energy: -97.235
tors. eta vs tors. theta energy: -169.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1636.295315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.295315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.295315 (E_RNA)
where:
Base-Base interactions energy: -1091.861
where: short stacking energy: -447.758
Base-Backbone interact. energy: -3.874
local terms energy: -540.560548
where:
bonds (distance) C4'-P energy: -108.457
bonds (distance) P-C4' energy: -123.216
flat angles C4'-P-C4' energy: -128.002
flat angles P-C4'-P energy: -75.815
tors. eta vs tors. theta energy: -105.070
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: 7
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1185.205197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.205197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.205197 (E_RNA)
where:
Base-Base interactions energy: -726.846
where: short stacking energy: -347.763
Base-Backbone interact. energy: 1.240
local terms energy: -459.599199
where:
bonds (distance) C4'-P energy: -106.582
bonds (distance) P-C4' energy: -130.564
flat angles C4'-P-C4' energy: -119.106
flat angles P-C4'-P energy: -62.231
tors. eta vs tors. theta energy: -41.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1174.039758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.039758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.039758 (E_RNA)
where:
Base-Base interactions energy: -675.366
where: short stacking energy: -287.857
Base-Backbone interact. energy: -1.435
local terms energy: -497.237882
where:
bonds (distance) C4'-P energy: -118.288
bonds (distance) P-C4' energy: -120.953
flat angles C4'-P-C4' energy: -133.901
flat angles P-C4'-P energy: -76.772
tors. eta vs tors. theta energy: -47.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -547.425766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.425766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.425766 (E_RNA)
where:
Base-Base interactions energy: -161.833
where: short stacking energy: -129.390
Base-Backbone interact. energy: -1.726
local terms energy: -383.866851
where:
bonds (distance) C4'-P energy: -121.369
bonds (distance) P-C4' energy: -133.433
flat angles C4'-P-C4' energy: -119.828
flat angles P-C4'-P energy: -55.804
tors. eta vs tors. theta energy: 46.568
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: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -2679.596845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.596845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.596845 (E_RNA)
where:
Base-Base interactions energy: -1832.565
where: short stacking energy: -797.083
Base-Backbone interact. energy: -4.241
local terms energy: -842.791316
where:
bonds (distance) C4'-P energy: -150.007
bonds (distance) P-C4' energy: -162.736
flat angles C4'-P-C4' energy: -165.109
flat angles P-C4'-P energy: -118.801
tors. eta vs tors. theta energy: -246.139
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: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -2625.177440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.177440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.177440 (E_RNA)
where:
Base-Base interactions energy: -1796.936
where: short stacking energy: -770.625
Base-Backbone interact. energy: -2.506
local terms energy: -825.736172
where:
bonds (distance) C4'-P energy: -144.124
bonds (distance) P-C4' energy: -149.832
flat angles C4'-P-C4' energy: -173.637
flat angles P-C4'-P energy: -118.799
tors. eta vs tors. theta energy: -239.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -2465.873319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.873319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.873319 (E_RNA)
where:
Base-Base interactions energy: -1735.884
where: short stacking energy: -717.607
Base-Backbone interact. energy: 0.625
local terms energy: -730.614192
where:
bonds (distance) C4'-P energy: -133.877
bonds (distance) P-C4' energy: -152.829
flat angles C4'-P-C4' energy: -154.776
flat angles P-C4'-P energy: -88.926
tors. eta vs tors. theta energy: -200.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -2322.951794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2322.951794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2322.951794 (E_RNA)
where:
Base-Base interactions energy: -1592.646
where: short stacking energy: -646.349
Base-Backbone interact. energy: -0.544
local terms energy: -729.761839
where:
bonds (distance) C4'-P energy: -135.741
bonds (distance) P-C4' energy: -131.806
flat angles C4'-P-C4' energy: -156.706
flat angles P-C4'-P energy: -114.791
tors. eta vs tors. theta energy: -190.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -2253.889362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2253.889362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2253.889362 (E_RNA)
where:
Base-Base interactions energy: -1545.529
where: short stacking energy: -598.439
Base-Backbone interact. energy: -2.410
local terms energy: -705.950094
where:
bonds (distance) C4'-P energy: -134.512
bonds (distance) P-C4' energy: -140.097
flat angles C4'-P-C4' energy: -144.215
flat angles P-C4'-P energy: -104.914
tors. eta vs tors. theta energy: -182.212
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: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1922.707166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.707166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.707166 (E_RNA)
where:
Base-Base interactions energy: -1273.429
where: short stacking energy: -572.577
Base-Backbone interact. energy: -3.378
local terms energy: -645.900282
where:
bonds (distance) C4'-P energy: -128.629
bonds (distance) P-C4' energy: -123.177
flat angles C4'-P-C4' energy: -156.574
flat angles P-C4'-P energy: -81.328
tors. eta vs tors. theta energy: -156.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1583.712352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.712352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.712352 (E_RNA)
where:
Base-Base interactions energy: -1001.963
where: short stacking energy: -427.053
Base-Backbone interact. energy: -1.264
local terms energy: -580.485421
where:
bonds (distance) C4'-P energy: -119.628
bonds (distance) P-C4' energy: -124.332
flat angles C4'-P-C4' energy: -137.421
flat angles P-C4'-P energy: -101.641
tors. eta vs tors. theta energy: -97.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1242.184188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.184188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.184188 (E_RNA)
where:
Base-Base interactions energy: -704.413
where: short stacking energy: -319.720
Base-Backbone interact. energy: -2.115
local terms energy: -535.656146
where:
bonds (distance) C4'-P energy: -131.938
bonds (distance) P-C4' energy: -140.083
flat angles C4'-P-C4' energy: -138.103
flat angles P-C4'-P energy: -87.457
tors. eta vs tors. theta energy: -38.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1112.894431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.894431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.894431 (E_RNA)
where:
Base-Base interactions energy: -670.679
where: short stacking energy: -323.446
Base-Backbone interact. energy: -3.407
local terms energy: -438.808732
where:
bonds (distance) C4'-P energy: -91.243
bonds (distance) P-C4' energy: -139.887
flat angles C4'-P-C4' energy: -116.343
flat angles P-C4'-P energy: -61.294
tors. eta vs tors. theta energy: -30.042
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: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -562.736833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.736833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.736833 (E_RNA)
where:
Base-Base interactions energy: -205.927
where: short stacking energy: -195.657
Base-Backbone interact. energy: 1.151
local terms energy: -357.961188
where:
bonds (distance) C4'-P energy: -117.985
bonds (distance) P-C4' energy: -109.524
flat angles C4'-P-C4' energy: -94.102
flat angles P-C4'-P energy: -54.401
tors. eta vs tors. theta energy: 18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2710.728055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2710.728055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2710.728055 (E_RNA)
where:
Base-Base interactions energy: -1886.766
where: short stacking energy: -785.584
Base-Backbone interact. energy: -4.561
local terms energy: -819.401021
where:
bonds (distance) C4'-P energy: -151.081
bonds (distance) P-C4' energy: -143.169
flat angles C4'-P-C4' energy: -173.880
flat angles P-C4'-P energy: -114.378
tors. eta vs tors. theta energy: -236.892
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: 5
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -2575.645294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.645294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.645294 (E_RNA)
where:
Base-Base interactions energy: -1752.684
where: short stacking energy: -751.480
Base-Backbone interact. energy: 0.961
local terms energy: -823.921786
where:
bonds (distance) C4'-P energy: -144.006
bonds (distance) P-C4' energy: -142.182
flat angles C4'-P-C4' energy: -183.531
flat angles P-C4'-P energy: -121.308
tors. eta vs tors. theta energy: -232.895
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: 3
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -2443.322635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.322635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.322635 (E_RNA)
where:
Base-Base interactions energy: -1691.338
where: short stacking energy: -674.425
Base-Backbone interact. energy: -3.726
local terms energy: -748.259161
where:
bonds (distance) C4'-P energy: -142.385
bonds (distance) P-C4' energy: -138.239
flat angles C4'-P-C4' energy: -170.196
flat angles P-C4'-P energy: -95.385
tors. eta vs tors. theta energy: -202.053
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: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -2367.542872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2367.542872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2367.542872 (E_RNA)
where:
Base-Base interactions energy: -1629.273
where: short stacking energy: -662.300
Base-Backbone interact. energy: 3.667
local terms energy: -741.937442
where:
bonds (distance) C4'-P energy: -134.641
bonds (distance) P-C4' energy: -146.779
flat angles C4'-P-C4' energy: -163.305
flat angles P-C4'-P energy: -105.432
tors. eta vs tors. theta energy: -191.780
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: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -2249.044614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2249.044614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2249.044614 (E_RNA)
where:
Base-Base interactions energy: -1540.403
where: short stacking energy: -596.329
Base-Backbone interact. energy: -4.785
local terms energy: -703.856506
where:
bonds (distance) C4'-P energy: -124.007
bonds (distance) P-C4' energy: -150.327
flat angles C4'-P-C4' energy: -151.481
flat angles P-C4'-P energy: -96.146
tors. eta vs tors. theta energy: -181.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1899.814842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.814842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.814842 (E_RNA)
where:
Base-Base interactions energy: -1273.605
where: short stacking energy: -553.267
Base-Backbone interact. energy: -1.269
local terms energy: -624.940827
where:
bonds (distance) C4'-P energy: -119.281
bonds (distance) P-C4' energy: -113.463
flat angles C4'-P-C4' energy: -145.823
flat angles P-C4'-P energy: -110.122
tors. eta vs tors. theta energy: -136.251
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: 6
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1627.464630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.464630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.464630 (E_RNA)
where:
Base-Base interactions energy: -1057.091
where: short stacking energy: -461.494
Base-Backbone interact. energy: -2.083
local terms energy: -568.290943
where:
bonds (distance) C4'-P energy: -114.413
bonds (distance) P-C4' energy: -134.919
flat angles C4'-P-C4' energy: -125.163
flat angles P-C4'-P energy: -91.057
tors. eta vs tors. theta energy: -102.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1258.077893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.077893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.077893 (E_RNA)
where:
Base-Base interactions energy: -762.717
where: short stacking energy: -370.820
Base-Backbone interact. energy: 2.085
local terms energy: -497.446196
where:
bonds (distance) C4'-P energy: -131.437
bonds (distance) P-C4' energy: -118.048
flat angles C4'-P-C4' energy: -93.226
flat angles P-C4'-P energy: -88.310
tors. eta vs tors. theta energy: -66.426
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: 9, replica: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1161.599201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.599201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.599201 (E_RNA)
where:
Base-Base interactions energy: -722.681
where: short stacking energy: -314.275
Base-Backbone interact. energy: -1.295
local terms energy: -437.622615
where:
bonds (distance) C4'-P energy: -120.003
bonds (distance) P-C4' energy: -110.984
flat angles C4'-P-C4' energy: -121.402
flat angles P-C4'-P energy: -53.319
tors. eta vs tors. theta energy: -31.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -562.957388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.957388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.957388 (E_RNA)
where:
Base-Base interactions energy: -211.441
where: short stacking energy: -138.995
Base-Backbone interact. energy: 2.550
local terms energy: -354.065685
where:
bonds (distance) C4'-P energy: -114.052
bonds (distance) P-C4' energy: -136.392
flat angles C4'-P-C4' energy: -95.570
flat angles P-C4'-P energy: -48.634
tors. eta vs tors. theta energy: 40.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2713.439770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.439770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.439770 (E_RNA)
where:
Base-Base interactions energy: -1869.499
where: short stacking energy: -776.475
Base-Backbone interact. energy: -4.001
local terms energy: -839.940588
where:
bonds (distance) C4'-P energy: -147.335
bonds (distance) P-C4' energy: -159.742
flat angles C4'-P-C4' energy: -171.864
flat angles P-C4'-P energy: -114.527
tors. eta vs tors. theta energy: -246.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -2600.508858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.508858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.508858 (E_RNA)
where:
Base-Base interactions energy: -1785.463
where: short stacking energy: -752.596
Base-Backbone interact. energy: 1.477
local terms energy: -816.523211
where:
bonds (distance) C4'-P energy: -144.631
bonds (distance) P-C4' energy: -144.655
flat angles C4'-P-C4' energy: -169.397
flat angles P-C4'-P energy: -121.632
tors. eta vs tors. theta energy: -236.209
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: 3
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -2441.006939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2441.006939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2441.006939 (E_RNA)
where:
Base-Base interactions energy: -1706.543
where: short stacking energy: -699.681
Base-Backbone interact. energy: 4.745
local terms energy: -739.208380
where:
bonds (distance) C4'-P energy: -126.172
bonds (distance) P-C4' energy: -141.109
flat angles C4'-P-C4' energy: -162.500
flat angles P-C4'-P energy: -100.175
tors. eta vs tors. theta energy: -209.253
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: 4, replica: 9
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -2342.897003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.897003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.897003 (E_RNA)
where:
Base-Base interactions energy: -1609.506
where: short stacking energy: -649.784
Base-Backbone interact. energy: 0.061
local terms energy: -733.452026
where:
bonds (distance) C4'-P energy: -146.965
bonds (distance) P-C4' energy: -129.277
flat angles C4'-P-C4' energy: -166.212
flat angles P-C4'-P energy: -97.982
tors. eta vs tors. theta energy: -193.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -2257.000052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2257.000052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2257.000052 (E_RNA)
where:
Base-Base interactions energy: -1549.959
where: short stacking energy: -649.201
Base-Backbone interact. energy: 2.608
local terms energy: -709.648913
where:
bonds (distance) C4'-P energy: -141.582
bonds (distance) P-C4' energy: -136.207
flat angles C4'-P-C4' energy: -155.893
flat angles P-C4'-P energy: -97.001
tors. eta vs tors. theta energy: -178.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1917.167657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.167657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.167657 (E_RNA)
where:
Base-Base interactions energy: -1267.065
where: short stacking energy: -547.294
Base-Backbone interact. energy: -3.646
local terms energy: -646.456846
where:
bonds (distance) C4'-P energy: -111.537
bonds (distance) P-C4' energy: -121.264
flat angles C4'-P-C4' energy: -151.251
flat angles P-C4'-P energy: -106.689
tors. eta vs tors. theta energy: -155.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1625.228918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.228918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.228918 (E_RNA)
where:
Base-Base interactions energy: -1044.903
where: short stacking energy: -429.026
Base-Backbone interact. energy: 2.015
local terms energy: -582.340326
where:
bonds (distance) C4'-P energy: -132.352
bonds (distance) P-C4' energy: -135.046
flat angles C4'-P-C4' energy: -130.337
flat angles P-C4'-P energy: -88.658
tors. eta vs tors. theta energy: -95.947
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: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1290.804817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.804817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.804817 (E_RNA)
where:
Base-Base interactions energy: -758.550
where: short stacking energy: -351.062
Base-Backbone interact. energy: -3.565
local terms energy: -528.689056
where:
bonds (distance) C4'-P energy: -128.410
bonds (distance) P-C4' energy: -128.999
flat angles C4'-P-C4' energy: -142.997
flat angles P-C4'-P energy: -74.032
tors. eta vs tors. theta energy: -54.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1144.673517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.673517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.673517 (E_RNA)
where:
Base-Base interactions energy: -691.525
where: short stacking energy: -308.832
Base-Backbone interact. energy: 1.360
local terms energy: -454.508368
where:
bonds (distance) C4'-P energy: -124.367
bonds (distance) P-C4' energy: -119.250
flat angles C4'-P-C4' energy: -122.693
flat angles P-C4'-P energy: -65.676
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -565.700407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.700407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.700407 (E_RNA)
where:
Base-Base interactions energy: -192.207
where: short stacking energy: -149.289
Base-Backbone interact. energy: -0.595
local terms energy: -372.898600
where:
bonds (distance) C4'-P energy: -131.878
bonds (distance) P-C4' energy: -129.324
flat angles C4'-P-C4' energy: -73.933
flat angles P-C4'-P energy: -65.328
tors. eta vs tors. theta energy: 27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2684.295700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.295700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.295700 (E_RNA)
where:
Base-Base interactions energy: -1876.318
where: short stacking energy: -807.793
Base-Backbone interact. energy: -6.967
local terms energy: -801.010869
where:
bonds (distance) C4'-P energy: -149.459
bonds (distance) P-C4' energy: -130.881
flat angles C4'-P-C4' energy: -158.099
flat angles P-C4'-P energy: -113.896
tors. eta vs tors. theta energy: -248.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -2559.867276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2559.867276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2559.867276 (E_RNA)
where:
Base-Base interactions energy: -1746.337
where: short stacking energy: -731.706
Base-Backbone interact. energy: -4.618
local terms energy: -808.912095
where:
bonds (distance) C4'-P energy: -143.736
bonds (distance) P-C4' energy: -141.739
flat angles C4'-P-C4' energy: -169.134
flat angles P-C4'-P energy: -118.101
tors. eta vs tors. theta energy: -236.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -2436.525746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2436.525746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2436.525746 (E_RNA)
where:
Base-Base interactions energy: -1664.629
where: short stacking energy: -685.038
Base-Backbone interact. energy: -2.328
local terms energy: -769.568820
where:
bonds (distance) C4'-P energy: -156.741
bonds (distance) P-C4' energy: -130.203
flat angles C4'-P-C4' energy: -162.951
flat angles P-C4'-P energy: -109.658
tors. eta vs tors. theta energy: -210.016
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: 382
Temperature: 1.050000
Total energy: -2295.169008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2295.169008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2295.169008 (E_RNA)
where:
Base-Base interactions energy: -1569.040
where: short stacking energy: -631.538
Base-Backbone interact. energy: -6.503
local terms energy: -719.626161
where:
bonds (distance) C4'-P energy: -131.760
bonds (distance) P-C4' energy: -148.966
flat angles C4'-P-C4' energy: -149.056
flat angles P-C4'-P energy: -105.068
tors. eta vs tors. theta energy: -184.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -2242.453129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2242.453129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2242.453129 (E_RNA)
where:
Base-Base interactions energy: -1562.027
where: short stacking energy: -627.608
Base-Backbone interact. energy: 0.597
local terms energy: -681.023481
where:
bonds (distance) C4'-P energy: -128.769
bonds (distance) P-C4' energy: -133.775
flat angles C4'-P-C4' energy: -157.871
flat angles P-C4'-P energy: -91.533
tors. eta vs tors. theta energy: -169.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1898.778871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.778871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.778871 (E_RNA)
where:
Base-Base interactions energy: -1261.846
where: short stacking energy: -524.533
Base-Backbone interact. energy: -1.477
local terms energy: -635.455636
where:
bonds (distance) C4'-P energy: -125.727
bonds (distance) P-C4' energy: -139.413
flat angles C4'-P-C4' energy: -141.458
flat angles P-C4'-P energy: -88.433
tors. eta vs tors. theta energy: -140.425
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: 7, replica: 6
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1615.368290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.368290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.368290 (E_RNA)
where:
Base-Base interactions energy: -1044.384
where: short stacking energy: -463.032
Base-Backbone interact. energy: -4.287
local terms energy: -566.697303
where:
bonds (distance) C4'-P energy: -129.487
bonds (distance) P-C4' energy: -110.758
flat angles C4'-P-C4' energy: -150.024
flat angles P-C4'-P energy: -74.254
tors. eta vs tors. theta energy: -102.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1358.912844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.912844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.912844 (E_RNA)
where:
Base-Base interactions energy: -802.782
where: short stacking energy: -387.895
Base-Backbone interact. energy: 6.841
local terms energy: -562.971455
where:
bonds (distance) C4'-P energy: -142.759
bonds (distance) P-C4' energy: -144.644
flat angles C4'-P-C4' energy: -111.819
flat angles P-C4'-P energy: -85.820
tors. eta vs tors. theta energy: -77.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1088.065178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.065178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.065178 (E_RNA)
where:
Base-Base interactions energy: -649.581
where: short stacking energy: -297.957
Base-Backbone interact. energy: 6.781
local terms energy: -445.264808
where:
bonds (distance) C4'-P energy: -98.183
bonds (distance) P-C4' energy: -129.516
flat angles C4'-P-C4' energy: -118.642
flat angles P-C4'-P energy: -67.414
tors. eta vs tors. theta energy: -31.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -572.674472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.674472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.674472 (E_RNA)
where:
Base-Base interactions energy: -220.927
where: short stacking energy: -188.410
Base-Backbone interact. energy: -2.096
local terms energy: -349.651573
where:
bonds (distance) C4'-P energy: -123.051
bonds (distance) P-C4' energy: -107.078
flat angles C4'-P-C4' energy: -107.301
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: 16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2697.502542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.502542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.502542 (E_RNA)
where:
Base-Base interactions energy: -1864.721
where: short stacking energy: -773.967
Base-Backbone interact. energy: -2.110
local terms energy: -830.671119
where:
bonds (distance) C4'-P energy: -140.346
bonds (distance) P-C4' energy: -159.382
flat angles C4'-P-C4' energy: -168.102
flat angles P-C4'-P energy: -117.182
tors. eta vs tors. theta energy: -245.659
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: 5
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -2561.239395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2561.239395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2561.239395 (E_RNA)
where:
Base-Base interactions energy: -1762.024
where: short stacking energy: -766.400
Base-Backbone interact. energy: -2.489
local terms energy: -796.726419
where:
bonds (distance) C4'-P energy: -155.802
bonds (distance) P-C4' energy: -136.290
flat angles C4'-P-C4' energy: -164.109
flat angles P-C4'-P energy: -103.411
tors. eta vs tors. theta energy: -237.114
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: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -2426.660614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2426.660614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2426.660614 (E_RNA)
where:
Base-Base interactions energy: -1673.937
where: short stacking energy: -697.077
Base-Backbone interact. energy: -2.307
local terms energy: -750.415835
where:
bonds (distance) C4'-P energy: -125.739
bonds (distance) P-C4' energy: -150.319
flat angles C4'-P-C4' energy: -169.874
flat angles P-C4'-P energy: -96.017
tors. eta vs tors. theta energy: -208.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -2285.904719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2285.904719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2285.904719 (E_RNA)
where:
Base-Base interactions energy: -1553.765
where: short stacking energy: -640.365
Base-Backbone interact. energy: -2.553
local terms energy: -729.586507
where:
bonds (distance) C4'-P energy: -145.712
bonds (distance) P-C4' energy: -143.789
flat angles C4'-P-C4' energy: -140.457
flat angles P-C4'-P energy: -119.222
tors. eta vs tors. theta energy: -180.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -2203.943529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2203.943529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2203.943529 (E_RNA)
where:
Base-Base interactions energy: -1537.370
where: short stacking energy: -628.384
Base-Backbone interact. energy: 3.685
local terms energy: -670.258588
where:
bonds (distance) C4'-P energy: -120.927
bonds (distance) P-C4' energy: -130.767
flat angles C4'-P-C4' energy: -160.712
flat angles P-C4'-P energy: -85.874
tors. eta vs tors. theta energy: -171.979
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: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1905.462042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.462042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.462042 (E_RNA)
where:
Base-Base interactions energy: -1254.414
where: short stacking energy: -558.528
Base-Backbone interact. energy: 5.301
local terms energy: -656.349281
where:
bonds (distance) C4'-P energy: -142.037
bonds (distance) P-C4' energy: -136.268
flat angles C4'-P-C4' energy: -142.838
flat angles P-C4'-P energy: -86.321
tors. eta vs tors. theta energy: -148.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1648.502037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.502037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.502037 (E_RNA)
where:
Base-Base interactions energy: -1090.134
where: short stacking energy: -451.349
Base-Backbone interact. energy: 0.934
local terms energy: -559.302040
where:
bonds (distance) C4'-P energy: -127.791
bonds (distance) P-C4' energy: -151.099
flat angles C4'-P-C4' energy: -115.218
flat angles P-C4'-P energy: -68.292
tors. eta vs tors. theta energy: -96.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1310.209461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.209461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.209461 (E_RNA)
where:
Base-Base interactions energy: -775.157
where: short stacking energy: -360.893
Base-Backbone interact. energy: 0.597
local terms energy: -535.649468
where:
bonds (distance) C4'-P energy: -126.411
bonds (distance) P-C4' energy: -126.646
flat angles C4'-P-C4' energy: -120.875
flat angles P-C4'-P energy: -83.832
tors. eta vs tors. theta energy: -77.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1036.793401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.793401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.793401 (E_RNA)
where:
Base-Base interactions energy: -594.613
where: short stacking energy: -285.659
Base-Backbone interact. energy: -2.103
local terms energy: -440.077559
where:
bonds (distance) C4'-P energy: -129.164
bonds (distance) P-C4' energy: -115.287
flat angles C4'-P-C4' energy: -110.004
flat angles P-C4'-P energy: -49.195
tors. eta vs tors. theta energy: -36.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -566.416237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.416237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.416237 (E_RNA)
where:
Base-Base interactions energy: -161.933
where: short stacking energy: -131.132
Base-Backbone interact. energy: 0.502
local terms energy: -404.985369
where:
bonds (distance) C4'-P energy: -124.729
bonds (distance) P-C4' energy: -126.762
flat angles C4'-P-C4' energy: -127.121
flat angles P-C4'-P energy: -59.919
tors. eta vs tors. theta energy: 33.545
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: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2681.417439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.417439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.417439 (E_RNA)
where:
Base-Base interactions energy: -1842.871
where: short stacking energy: -762.673
Base-Backbone interact. energy: -6.117
local terms energy: -832.430075
where:
bonds (distance) C4'-P energy: -158.109
bonds (distance) P-C4' energy: -139.144
flat angles C4'-P-C4' energy: -178.868
flat angles P-C4'-P energy: -116.271
tors. eta vs tors. theta energy: -240.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -2595.964702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.964702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.964702 (E_RNA)
where:
Base-Base interactions energy: -1766.859
where: short stacking energy: -732.293
Base-Backbone interact. energy: -3.660
local terms energy: -825.446260
where:
bonds (distance) C4'-P energy: -154.708
bonds (distance) P-C4' energy: -146.493
flat angles C4'-P-C4' energy: -183.444
flat angles P-C4'-P energy: -100.887
tors. eta vs tors. theta energy: -239.913
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: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -2418.301963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.301963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.301963 (E_RNA)
where:
Base-Base interactions energy: -1683.012
where: short stacking energy: -700.719
Base-Backbone interact. energy: 0.595
local terms energy: -735.884409
where:
bonds (distance) C4'-P energy: -124.239
bonds (distance) P-C4' energy: -142.053
flat angles C4'-P-C4' energy: -159.551
flat angles P-C4'-P energy: -100.683
tors. eta vs tors. theta energy: -209.357
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: 384
Temperature: 1.050000
Total energy: -2290.906464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.906464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.906464 (E_RNA)
where:
Base-Base interactions energy: -1567.526
where: short stacking energy: -635.376
Base-Backbone interact. energy: -1.541
local terms energy: -721.839191
where:
bonds (distance) C4'-P energy: -124.223
bonds (distance) P-C4' energy: -127.532
flat angles C4'-P-C4' energy: -160.378
flat angles P-C4'-P energy: -110.478
tors. eta vs tors. theta energy: -199.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -2210.873690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2210.873690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2210.873690 (E_RNA)
where:
Base-Base interactions energy: -1507.846
where: short stacking energy: -621.935
Base-Backbone interact. energy: -1.724
local terms energy: -701.303669
where:
bonds (distance) C4'-P energy: -149.440
bonds (distance) P-C4' energy: -133.674
flat angles C4'-P-C4' energy: -155.639
flat angles P-C4'-P energy: -91.204
tors. eta vs tors. theta energy: -171.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1943.147056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.147056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.147056 (E_RNA)
where:
Base-Base interactions energy: -1279.593
where: short stacking energy: -566.593
Base-Backbone interact. energy: -2.059
local terms energy: -661.495168
where:
bonds (distance) C4'-P energy: -125.435
bonds (distance) P-C4' energy: -138.220
flat angles C4'-P-C4' energy: -140.102
flat angles P-C4'-P energy: -100.247
tors. eta vs tors. theta energy: -157.491
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: 7, replica: 6
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1667.783230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.783230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.783230 (E_RNA)
where:
Base-Base interactions energy: -1082.265
where: short stacking energy: -493.676
Base-Backbone interact. energy: -3.421
local terms energy: -582.097291
where:
bonds (distance) C4'-P energy: -110.722
bonds (distance) P-C4' energy: -111.421
flat angles C4'-P-C4' energy: -155.026
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -126.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1304.508117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.508117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.508117 (E_RNA)
where:
Base-Base interactions energy: -789.506
where: short stacking energy: -375.744
Base-Backbone interact. energy: -0.896
local terms energy: -514.105630
where:
bonds (distance) C4'-P energy: -114.901
bonds (distance) P-C4' energy: -132.066
flat angles C4'-P-C4' energy: -126.569
flat angles P-C4'-P energy: -78.536
tors. eta vs tors. theta energy: -62.034
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: 7
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1119.442681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.442681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.442681 (E_RNA)
where:
Base-Base interactions energy: -628.818
where: short stacking energy: -297.630
Base-Backbone interact. energy: -1.541
local terms energy: -489.084171
where:
bonds (distance) C4'-P energy: -131.069
bonds (distance) P-C4' energy: -132.397
flat angles C4'-P-C4' energy: -121.913
flat angles P-C4'-P energy: -65.268
tors. eta vs tors. theta energy: -38.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -595.976089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.976089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.976089 (E_RNA)
where:
Base-Base interactions energy: -231.804
where: short stacking energy: -174.683
Base-Backbone interact. energy: 0.909
local terms energy: -365.081613
where:
bonds (distance) C4'-P energy: -123.425
bonds (distance) P-C4' energy: -114.441
flat angles C4'-P-C4' energy: -94.579
flat angles P-C4'-P energy: -67.054
tors. eta vs tors. theta energy: 34.417
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: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2676.113296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.113296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.113296 (E_RNA)
where:
Base-Base interactions energy: -1845.162
where: short stacking energy: -783.779
Base-Backbone interact. energy: -3.281
local terms energy: -827.669830
where:
bonds (distance) C4'-P energy: -155.529
bonds (distance) P-C4' energy: -146.375
flat angles C4'-P-C4' energy: -178.361
flat angles P-C4'-P energy: -112.861
tors. eta vs tors. theta energy: -234.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2606.709789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.709789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.709789 (E_RNA)
where:
Base-Base interactions energy: -1796.989
where: short stacking energy: -746.649
Base-Backbone interact. energy: -1.814
local terms energy: -807.906147
where:
bonds (distance) C4'-P energy: -136.595
bonds (distance) P-C4' energy: -156.859
flat angles C4'-P-C4' energy: -173.529
flat angles P-C4'-P energy: -107.440
tors. eta vs tors. theta energy: -233.482
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: 3
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -2434.618547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2434.618547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2434.618547 (E_RNA)
where:
Base-Base interactions energy: -1679.877
where: short stacking energy: -693.930
Base-Backbone interact. energy: -1.106
local terms energy: -753.635161
where:
bonds (distance) C4'-P energy: -139.246
bonds (distance) P-C4' energy: -150.982
flat angles C4'-P-C4' energy: -160.622
flat angles P-C4'-P energy: -103.952
tors. eta vs tors. theta energy: -198.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -2332.454836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.454836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.454836 (E_RNA)
where:
Base-Base interactions energy: -1597.039
where: short stacking energy: -652.076
Base-Backbone interact. energy: -2.177
local terms energy: -733.239143
where:
bonds (distance) C4'-P energy: -133.576
bonds (distance) P-C4' energy: -146.020
flat angles C4'-P-C4' energy: -148.260
flat angles P-C4'-P energy: -108.183
tors. eta vs tors. theta energy: -197.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -2233.135652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2233.135652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2233.135652 (E_RNA)
where:
Base-Base interactions energy: -1523.939
where: short stacking energy: -639.104
Base-Backbone interact. energy: 3.052
local terms energy: -712.248131
where:
bonds (distance) C4'-P energy: -142.269
bonds (distance) P-C4' energy: -128.781
flat angles C4'-P-C4' energy: -156.801
flat angles P-C4'-P energy: -87.389
tors. eta vs tors. theta energy: -197.008
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: 10
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1939.513217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.513217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.513217 (E_RNA)
where:
Base-Base interactions energy: -1275.619
where: short stacking energy: -555.656
Base-Backbone interact. energy: -0.613
local terms energy: -663.281158
where:
bonds (distance) C4'-P energy: -145.745
bonds (distance) P-C4' energy: -148.407
flat angles C4'-P-C4' energy: -135.111
flat angles P-C4'-P energy: -79.030
tors. eta vs tors. theta energy: -154.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1742.948812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.948812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.948812 (E_RNA)
where:
Base-Base interactions energy: -1171.867
where: short stacking energy: -496.150
Base-Backbone interact. energy: -1.703
local terms energy: -569.378918
where:
bonds (distance) C4'-P energy: -118.909
bonds (distance) P-C4' energy: -122.222
flat angles C4'-P-C4' energy: -139.718
flat angles P-C4'-P energy: -67.011
tors. eta vs tors. theta energy: -121.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1274.581162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.581162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.581162 (E_RNA)
where:
Base-Base interactions energy: -771.376
where: short stacking energy: -337.377
Base-Backbone interact. energy: 2.486
local terms energy: -505.691052
where:
bonds (distance) C4'-P energy: -111.298
bonds (distance) P-C4' energy: -135.982
flat angles C4'-P-C4' energy: -126.101
flat angles P-C4'-P energy: -88.957
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: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1002.974487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.974487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.974487 (E_RNA)
where:
Base-Base interactions energy: -535.179
where: short stacking energy: -259.033
Base-Backbone interact. energy: 2.775
local terms energy: -470.570524
where:
bonds (distance) C4'-P energy: -130.167
bonds (distance) P-C4' energy: -127.567
flat angles C4'-P-C4' energy: -112.365
flat angles P-C4'-P energy: -66.817
tors. eta vs tors. theta energy: -33.654
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: 10, replica: 1
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -682.987375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.987375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.987375 (E_RNA)
where:
Base-Base interactions energy: -257.000
where: short stacking energy: -164.003
Base-Backbone interact. energy: -0.892
local terms energy: -425.095416
where:
bonds (distance) C4'-P energy: -134.393
bonds (distance) P-C4' energy: -134.160
flat angles C4'-P-C4' energy: -118.819
flat angles P-C4'-P energy: -60.174
tors. eta vs tors. theta energy: 22.450
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: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -2686.387615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.387615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.387615 (E_RNA)
where:
Base-Base interactions energy: -1855.593
where: short stacking energy: -781.147
Base-Backbone interact. energy: 0.691
local terms energy: -831.485747
where:
bonds (distance) C4'-P energy: -140.444
bonds (distance) P-C4' energy: -153.028
flat angles C4'-P-C4' energy: -171.467
flat angles P-C4'-P energy: -120.230
tors. eta vs tors. theta energy: -246.317
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: 2, replica: 5
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2585.762798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.762798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.762798 (E_RNA)
where:
Base-Base interactions energy: -1789.403
where: short stacking energy: -776.865
Base-Backbone interact. energy: -1.294
local terms energy: -795.065664
where:
bonds (distance) C4'-P energy: -145.680
bonds (distance) P-C4' energy: -138.327
flat angles C4'-P-C4' energy: -167.700
flat angles P-C4'-P energy: -103.665
tors. eta vs tors. theta energy: -239.695
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: 3
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -2428.065237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2428.065237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2428.065237 (E_RNA)
where:
Base-Base interactions energy: -1660.092
where: short stacking energy: -686.500
Base-Backbone interact. energy: 1.776
local terms energy: -769.749042
where:
bonds (distance) C4'-P energy: -160.610
bonds (distance) P-C4' energy: -139.670
flat angles C4'-P-C4' energy: -156.955
flat angles P-C4'-P energy: -105.597
tors. eta vs tors. theta energy: -206.917
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: 9
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -2303.725833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2303.725833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2303.725833 (E_RNA)
where:
Base-Base interactions energy: -1558.523
where: short stacking energy: -653.341
Base-Backbone interact. energy: -3.208
local terms energy: -741.994445
where:
bonds (distance) C4'-P energy: -133.217
bonds (distance) P-C4' energy: -146.242
flat angles C4'-P-C4' energy: -164.078
flat angles P-C4'-P energy: -104.730
tors. eta vs tors. theta energy: -193.727
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: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -2225.875013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.875013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.875013 (E_RNA)
where:
Base-Base interactions energy: -1517.781
where: short stacking energy: -634.183
Base-Backbone interact. energy: -1.370
local terms energy: -706.724111
where:
bonds (distance) C4'-P energy: -124.261
bonds (distance) P-C4' energy: -143.212
flat angles C4'-P-C4' energy: -150.585
flat angles P-C4'-P energy: -98.740
tors. eta vs tors. theta energy: -189.927
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1948.844888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.844888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.844888 (E_RNA)
where:
Base-Base interactions energy: -1316.315
where: short stacking energy: -558.787
Base-Backbone interact. energy: -2.486
local terms energy: -630.043715
where:
bonds (distance) C4'-P energy: -131.977
bonds (distance) P-C4' energy: -127.652
flat angles C4'-P-C4' energy: -133.337
flat angles P-C4'-P energy: -105.864
tors. eta vs tors. theta energy: -131.213
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: 6
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1716.554898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.554898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.554898 (E_RNA)
where:
Base-Base interactions energy: -1133.956
where: short stacking energy: -480.733
Base-Backbone interact. energy: -5.928
local terms energy: -576.670475
where:
bonds (distance) C4'-P energy: -118.684
bonds (distance) P-C4' energy: -127.594
flat angles C4'-P-C4' energy: -138.829
flat angles P-C4'-P energy: -86.384
tors. eta vs tors. theta energy: -105.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1306.278797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.278797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.278797 (E_RNA)
where:
Base-Base interactions energy: -798.407
where: short stacking energy: -367.599
Base-Backbone interact. energy: 2.892
local terms energy: -510.763736
where:
bonds (distance) C4'-P energy: -106.150
bonds (distance) P-C4' energy: -118.022
flat angles C4'-P-C4' energy: -119.432
flat angles P-C4'-P energy: -83.652
tors. eta vs tors. theta energy: -83.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1027.556992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.556992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.556992 (E_RNA)
where:
Base-Base interactions energy: -573.565
where: short stacking energy: -302.390
Base-Backbone interact. energy: 1.380
local terms energy: -455.372791
where:
bonds (distance) C4'-P energy: -109.773
bonds (distance) P-C4' energy: -127.088
flat angles C4'-P-C4' energy: -112.790
flat angles P-C4'-P energy: -62.347
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -646.696936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.696936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.696936 (E_RNA)
where:
Base-Base interactions energy: -248.400
where: short stacking energy: -194.833
Base-Backbone interact. energy: 1.600
local terms energy: -399.897295
where:
bonds (distance) C4'-P energy: -111.333
bonds (distance) P-C4' energy: -128.034
flat angles C4'-P-C4' energy: -106.191
flat angles P-C4'-P energy: -60.040
tors. eta vs tors. theta energy: 5.700
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: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2701.847313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.847313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.847313 (E_RNA)
where:
Base-Base interactions energy: -1850.229
where: short stacking energy: -772.307
Base-Backbone interact. energy: -5.490
local terms energy: -846.128315
where:
bonds (distance) C4'-P energy: -147.016
bonds (distance) P-C4' energy: -155.176
flat angles C4'-P-C4' energy: -186.280
flat angles P-C4'-P energy: -119.148
tors. eta vs tors. theta energy: -238.508
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: 5
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2566.665385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.665385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.665385 (E_RNA)
where:
Base-Base interactions energy: -1759.744
where: short stacking energy: -737.935
Base-Backbone interact. energy: -3.652
local terms energy: -803.269358
where:
bonds (distance) C4'-P energy: -140.705
bonds (distance) P-C4' energy: -151.376
flat angles C4'-P-C4' energy: -161.052
flat angles P-C4'-P energy: -109.631
tors. eta vs tors. theta energy: -240.506
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: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -2409.997957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2409.997957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2409.997957 (E_RNA)
where:
Base-Base interactions energy: -1666.637
where: short stacking energy: -691.623
Base-Backbone interact. energy: -6.174
local terms energy: -737.186615
where:
bonds (distance) C4'-P energy: -116.559
bonds (distance) P-C4' energy: -159.628
flat angles C4'-P-C4' energy: -171.065
flat angles P-C4'-P energy: -88.654
tors. eta vs tors. theta energy: -201.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -2323.020189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2323.020189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2323.020189 (E_RNA)
where:
Base-Base interactions energy: -1589.268
where: short stacking energy: -641.119
Base-Backbone interact. energy: -1.719
local terms energy: -732.032758
where:
bonds (distance) C4'-P energy: -138.999
bonds (distance) P-C4' energy: -144.314
flat angles C4'-P-C4' energy: -150.236
flat angles P-C4'-P energy: -100.895
tors. eta vs tors. theta energy: -197.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -2231.589355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2231.589355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2231.589355 (E_RNA)
where:
Base-Base interactions energy: -1553.622
where: short stacking energy: -625.412
Base-Backbone interact. energy: 3.068
local terms energy: -681.035539
where:
bonds (distance) C4'-P energy: -123.057
bonds (distance) P-C4' energy: -132.551
flat angles C4'-P-C4' energy: -153.002
flat angles P-C4'-P energy: -91.111
tors. eta vs tors. theta energy: -181.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1954.927241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.927241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.927241 (E_RNA)
where:
Base-Base interactions energy: -1288.634
where: short stacking energy: -571.717
Base-Backbone interact. energy: -3.719
local terms energy: -662.574762
where:
bonds (distance) C4'-P energy: -134.624
bonds (distance) P-C4' energy: -137.126
flat angles C4'-P-C4' energy: -148.296
flat angles P-C4'-P energy: -93.213
tors. eta vs tors. theta energy: -149.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1695.296276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.296276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.296276 (E_RNA)
where:
Base-Base interactions energy: -1096.599
where: short stacking energy: -455.071
Base-Backbone interact. energy: -1.944
local terms energy: -596.754182
where:
bonds (distance) C4'-P energy: -151.085
bonds (distance) P-C4' energy: -123.518
flat angles C4'-P-C4' energy: -125.815
flat angles P-C4'-P energy: -99.238
tors. eta vs tors. theta energy: -97.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1334.534303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.534303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.534303 (E_RNA)
where:
Base-Base interactions energy: -804.689
where: short stacking energy: -361.845
Base-Backbone interact. energy: 5.543
local terms energy: -535.388726
where:
bonds (distance) C4'-P energy: -125.107
bonds (distance) P-C4' energy: -122.318
flat angles C4'-P-C4' energy: -121.961
flat angles P-C4'-P energy: -85.990
tors. eta vs tors. theta energy: -80.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1048.057833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.057833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.057833 (E_RNA)
where:
Base-Base interactions energy: -577.313
where: short stacking energy: -286.685
Base-Backbone interact. energy: 5.803
local terms energy: -476.547905
where:
bonds (distance) C4'-P energy: -116.194
bonds (distance) P-C4' energy: -136.339
flat angles C4'-P-C4' energy: -123.484
flat angles P-C4'-P energy: -73.321
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -639.003471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.003471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.003471 (E_RNA)
where:
Base-Base interactions energy: -271.219
where: short stacking energy: -188.361
Base-Backbone interact. energy: 1.725
local terms energy: -369.509080
where:
bonds (distance) C4'-P energy: -95.769
bonds (distance) P-C4' energy: -117.423
flat angles C4'-P-C4' energy: -115.194
flat angles P-C4'-P energy: -58.927
tors. eta vs tors. theta energy: 17.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2694.950918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.950918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.950918 (E_RNA)
where:
Base-Base interactions energy: -1835.621
where: short stacking energy: -778.176
Base-Backbone interact. energy: -0.921
local terms energy: -858.409741
where:
bonds (distance) C4'-P energy: -149.838
bonds (distance) P-C4' energy: -147.788
flat angles C4'-P-C4' energy: -175.450
flat angles P-C4'-P energy: -133.790
tors. eta vs tors. theta energy: -251.544
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: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2639.915948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2639.915948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2639.915948 (E_RNA)
where:
Base-Base interactions energy: -1823.209
where: short stacking energy: -765.141
Base-Backbone interact. energy: -1.810
local terms energy: -814.896394
where:
bonds (distance) C4'-P energy: -145.945
bonds (distance) P-C4' energy: -153.458
flat angles C4'-P-C4' energy: -165.725
flat angles P-C4'-P energy: -115.198
tors. eta vs tors. theta energy: -234.570
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: 3
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -2456.757730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2456.757730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2456.757730 (E_RNA)
where:
Base-Base interactions energy: -1698.022
where: short stacking energy: -687.554
Base-Backbone interact. energy: -6.281
local terms energy: -752.455330
where:
bonds (distance) C4'-P energy: -135.798
bonds (distance) P-C4' energy: -146.442
flat angles C4'-P-C4' energy: -162.541
flat angles P-C4'-P energy: -108.296
tors. eta vs tors. theta energy: -199.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -2358.486776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.486776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.486776 (E_RNA)
where:
Base-Base interactions energy: -1615.204
where: short stacking energy: -660.405
Base-Backbone interact. energy: -2.620
local terms energy: -740.662834
where:
bonds (distance) C4'-P energy: -138.571
bonds (distance) P-C4' energy: -131.374
flat angles C4'-P-C4' energy: -160.847
flat angles P-C4'-P energy: -107.021
tors. eta vs tors. theta energy: -202.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -2225.583044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.583044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.583044 (E_RNA)
where:
Base-Base interactions energy: -1543.798
where: short stacking energy: -623.831
Base-Backbone interact. energy: 6.337
local terms energy: -688.121822
where:
bonds (distance) C4'-P energy: -128.411
bonds (distance) P-C4' energy: -125.941
flat angles C4'-P-C4' energy: -157.676
flat angles P-C4'-P energy: -95.961
tors. eta vs tors. theta energy: -180.132
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: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1941.280597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.280597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.280597 (E_RNA)
where:
Base-Base interactions energy: -1301.070
where: short stacking energy: -570.589
Base-Backbone interact. energy: 1.239
local terms energy: -641.448790
where:
bonds (distance) C4'-P energy: -131.255
bonds (distance) P-C4' energy: -139.878
flat angles C4'-P-C4' energy: -124.635
flat angles P-C4'-P energy: -88.379
tors. eta vs tors. theta energy: -157.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1685.870271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.870271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.870271 (E_RNA)
where:
Base-Base interactions energy: -1118.170
where: short stacking energy: -457.849
Base-Backbone interact. energy: -3.611
local terms energy: -564.089447
where:
bonds (distance) C4'-P energy: -122.747
bonds (distance) P-C4' energy: -141.914
flat angles C4'-P-C4' energy: -123.425
flat angles P-C4'-P energy: -69.288
tors. eta vs tors. theta energy: -106.716
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: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1266.511483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.511483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.511483 (E_RNA)
where:
Base-Base interactions energy: -783.359
where: short stacking energy: -345.997
Base-Backbone interact. energy: 1.945
local terms energy: -485.097828
where:
bonds (distance) C4'-P energy: -110.682
bonds (distance) P-C4' energy: -128.196
flat angles C4'-P-C4' energy: -112.189
flat angles P-C4'-P energy: -86.268
tors. eta vs tors. theta energy: -47.763
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: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1014.996648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.996648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.996648 (E_RNA)
where:
Base-Base interactions energy: -553.788
where: short stacking energy: -272.582
Base-Backbone interact. energy: -1.660
local terms energy: -459.548349
where:
bonds (distance) C4'-P energy: -119.627
bonds (distance) P-C4' energy: -128.838
flat angles C4'-P-C4' energy: -116.342
flat angles P-C4'-P energy: -77.271
tors. eta vs tors. theta energy: -17.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -591.551459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.551459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.551459 (E_RNA)
where:
Base-Base interactions energy: -230.499
where: short stacking energy: -147.630
Base-Backbone interact. energy: 4.794
local terms energy: -365.846357
where:
bonds (distance) C4'-P energy: -125.135
bonds (distance) P-C4' energy: -124.750
flat angles C4'-P-C4' energy: -102.221
flat angles P-C4'-P energy: -56.979
tors. eta vs tors. theta energy: 43.239
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: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2686.999415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.999415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.999415 (E_RNA)
where:
Base-Base interactions energy: -1862.162
where: short stacking energy: -775.830
Base-Backbone interact. energy: -1.694
local terms energy: -823.143284
where:
bonds (distance) C4'-P energy: -155.796
bonds (distance) P-C4' energy: -138.445
flat angles C4'-P-C4' energy: -180.104
flat angles P-C4'-P energy: -107.790
tors. eta vs tors. theta energy: -241.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2605.074538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.074538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.074538 (E_RNA)
where:
Base-Base interactions energy: -1793.284
where: short stacking energy: -768.233
Base-Backbone interact. energy: 0.536
local terms energy: -812.326867
where:
bonds (distance) C4'-P energy: -132.228
bonds (distance) P-C4' energy: -150.378
flat angles C4'-P-C4' energy: -175.246
flat angles P-C4'-P energy: -117.272
tors. eta vs tors. theta energy: -237.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -2421.969904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2421.969904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2421.969904 (E_RNA)
where:
Base-Base interactions energy: -1644.933
where: short stacking energy: -672.238
Base-Backbone interact. energy: 1.546
local terms energy: -778.583505
where:
bonds (distance) C4'-P energy: -147.095
bonds (distance) P-C4' energy: -144.877
flat angles C4'-P-C4' energy: -161.598
flat angles P-C4'-P energy: -121.659
tors. eta vs tors. theta energy: -203.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -2353.793597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.793597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.793597 (E_RNA)
where:
Base-Base interactions energy: -1603.896
where: short stacking energy: -641.104
Base-Backbone interact. energy: -3.268
local terms energy: -746.628804
where:
bonds (distance) C4'-P energy: -148.704
bonds (distance) P-C4' energy: -150.575
flat angles C4'-P-C4' energy: -154.169
flat angles P-C4'-P energy: -96.419
tors. eta vs tors. theta energy: -196.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -2196.528486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2196.528486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2196.528486 (E_RNA)
where:
Base-Base interactions energy: -1533.496
where: short stacking energy: -601.118
Base-Backbone interact. energy: -0.014
local terms energy: -663.018524
where:
bonds (distance) C4'-P energy: -123.578
bonds (distance) P-C4' energy: -135.550
flat angles C4'-P-C4' energy: -145.396
flat angles P-C4'-P energy: -84.281
tors. eta vs tors. theta energy: -174.213
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: 6, replica: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1960.058629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.058629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.058629 (E_RNA)
where:
Base-Base interactions energy: -1289.660
where: short stacking energy: -595.763
Base-Backbone interact. energy: -2.198
local terms energy: -668.201104
where:
bonds (distance) C4'-P energy: -122.480
bonds (distance) P-C4' energy: -141.667
flat angles C4'-P-C4' energy: -154.574
flat angles P-C4'-P energy: -82.589
tors. eta vs tors. theta energy: -166.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1679.977665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.977665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.977665 (E_RNA)
where:
Base-Base interactions energy: -1085.847
where: short stacking energy: -428.859
Base-Backbone interact. energy: 0.057
local terms energy: -594.187454
where:
bonds (distance) C4'-P energy: -138.842
bonds (distance) P-C4' energy: -148.679
flat angles C4'-P-C4' energy: -123.057
flat angles P-C4'-P energy: -91.689
tors. eta vs tors. theta energy: -91.920
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1318.474554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.474554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.474554 (E_RNA)
where:
Base-Base interactions energy: -802.619
where: short stacking energy: -385.913
Base-Backbone interact. energy: 3.289
local terms energy: -519.144485
where:
bonds (distance) C4'-P energy: -121.693
bonds (distance) P-C4' energy: -132.883
flat angles C4'-P-C4' energy: -126.446
flat angles P-C4'-P energy: -75.091
tors. eta vs tors. theta energy: -63.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -977.483507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.483507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.483507 (E_RNA)
where:
Base-Base interactions energy: -519.826
where: short stacking energy: -268.038
Base-Backbone interact. energy: -0.894
local terms energy: -456.763409
where:
bonds (distance) C4'-P energy: -126.523
bonds (distance) P-C4' energy: -127.616
flat angles C4'-P-C4' energy: -133.758
flat angles P-C4'-P energy: -59.743
tors. eta vs tors. theta energy: -9.124
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: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -619.741836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.741836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.741836 (E_RNA)
where:
Base-Base interactions energy: -239.936
where: short stacking energy: -151.273
Base-Backbone interact. energy: 3.432
local terms energy: -383.237733
where:
bonds (distance) C4'-P energy: -117.334
bonds (distance) P-C4' energy: -126.900
flat angles C4'-P-C4' energy: -119.838
flat angles P-C4'-P energy: -51.488
tors. eta vs tors. theta energy: 32.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2663.432239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.432239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.432239 (E_RNA)
where:
Base-Base interactions energy: -1828.127
where: short stacking energy: -786.621
Base-Backbone interact. energy: -6.265
local terms energy: -829.040240
where:
bonds (distance) C4'-P energy: -139.145
bonds (distance) P-C4' energy: -163.144
flat angles C4'-P-C4' energy: -171.471
flat angles P-C4'-P energy: -115.028
tors. eta vs tors. theta energy: -240.253
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: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2656.400871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.400871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.400871 (E_RNA)
where:
Base-Base interactions energy: -1800.566
where: short stacking energy: -781.090
Base-Backbone interact. energy: -2.576
local terms energy: -853.258740
where:
bonds (distance) C4'-P energy: -157.285
bonds (distance) P-C4' energy: -158.179
flat angles C4'-P-C4' energy: -178.523
flat angles P-C4'-P energy: -112.891
tors. eta vs tors. theta energy: -246.380
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: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -2424.155255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2424.155255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2424.155255 (E_RNA)
where:
Base-Base interactions energy: -1644.731
where: short stacking energy: -672.134
Base-Backbone interact. energy: -0.477
local terms energy: -778.947251
where:
bonds (distance) C4'-P energy: -139.706
bonds (distance) P-C4' energy: -149.996
flat angles C4'-P-C4' energy: -171.553
flat angles P-C4'-P energy: -110.341
tors. eta vs tors. theta energy: -207.350
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: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -2368.726673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.726673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.726673 (E_RNA)
where:
Base-Base interactions energy: -1638.417
where: short stacking energy: -667.754
Base-Backbone interact. energy: -1.150
local terms energy: -729.159505
where:
bonds (distance) C4'-P energy: -135.505
bonds (distance) P-C4' energy: -141.055
flat angles C4'-P-C4' energy: -156.083
flat angles P-C4'-P energy: -86.634
tors. eta vs tors. theta energy: -209.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -2238.843035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2238.843035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2238.843035 (E_RNA)
where:
Base-Base interactions energy: -1557.199
where: short stacking energy: -630.661
Base-Backbone interact. energy: 1.329
local terms energy: -682.972514
where:
bonds (distance) C4'-P energy: -134.765
bonds (distance) P-C4' energy: -125.349
flat angles C4'-P-C4' energy: -145.521
flat angles P-C4'-P energy: -102.425
tors. eta vs tors. theta energy: -174.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1962.759855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.759855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.759855 (E_RNA)
where:
Base-Base interactions energy: -1298.379
where: short stacking energy: -584.415
Base-Backbone interact. energy: -0.881
local terms energy: -663.500141
where:
bonds (distance) C4'-P energy: -146.944
bonds (distance) P-C4' energy: -119.376
flat angles C4'-P-C4' energy: -151.813
flat angles P-C4'-P energy: -93.304
tors. eta vs tors. theta energy: -152.063
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: 6
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1673.438394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.438394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.438394 (E_RNA)
where:
Base-Base interactions energy: -1104.371
where: short stacking energy: -475.963
Base-Backbone interact. energy: -2.216
local terms energy: -566.851850
where:
bonds (distance) C4'-P energy: -113.807
bonds (distance) P-C4' energy: -129.518
flat angles C4'-P-C4' energy: -138.166
flat angles P-C4'-P energy: -81.985
tors. eta vs tors. theta energy: -103.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1409.226920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.226920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.226920 (E_RNA)
where:
Base-Base interactions energy: -868.705
where: short stacking energy: -399.158
Base-Backbone interact. energy: -0.839
local terms energy: -539.683364
where:
bonds (distance) C4'-P energy: -122.854
bonds (distance) P-C4' energy: -125.596
flat angles C4'-P-C4' energy: -138.687
flat angles P-C4'-P energy: -71.343
tors. eta vs tors. theta energy: -81.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -934.246048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.246048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.246048 (E_RNA)
where:
Base-Base interactions energy: -506.349
where: short stacking energy: -283.480
Base-Backbone interact. energy: 0.631
local terms energy: -428.528358
where:
bonds (distance) C4'-P energy: -106.164
bonds (distance) P-C4' energy: -132.508
flat angles C4'-P-C4' energy: -118.854
flat angles P-C4'-P energy: -56.802
tors. eta vs tors. theta energy: -14.199
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: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -614.610416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.610416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.610416 (E_RNA)
where:
Base-Base interactions energy: -254.848
where: short stacking energy: -191.073
Base-Backbone interact. energy: 1.356
local terms energy: -361.117493
where:
bonds (distance) C4'-P energy: -99.238
bonds (distance) P-C4' energy: -122.559
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -36.795
tors. eta vs tors. theta energy: 15.532
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: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -2645.725114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.725114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.725114 (E_RNA)
where:
Base-Base interactions energy: -1824.892
where: short stacking energy: -787.743
Base-Backbone interact. energy: -1.614
local terms energy: -819.219270
where:
bonds (distance) C4'-P energy: -150.257
bonds (distance) P-C4' energy: -154.959
flat angles C4'-P-C4' energy: -164.604
flat angles P-C4'-P energy: -105.685
tors. eta vs tors. theta energy: -243.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2567.687291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.687291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.687291 (E_RNA)
where:
Base-Base interactions energy: -1753.168
where: short stacking energy: -740.268
Base-Backbone interact. energy: -1.936
local terms energy: -812.582870
where:
bonds (distance) C4'-P energy: -151.307
bonds (distance) P-C4' energy: -141.758
flat angles C4'-P-C4' energy: -170.829
flat angles P-C4'-P energy: -109.350
tors. eta vs tors. theta energy: -239.339
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: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -2429.360532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2429.360532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2429.360532 (E_RNA)
where:
Base-Base interactions energy: -1670.906
where: short stacking energy: -720.556
Base-Backbone interact. energy: -0.304
local terms energy: -758.151225
where:
bonds (distance) C4'-P energy: -125.888
bonds (distance) P-C4' energy: -130.478
flat angles C4'-P-C4' energy: -170.759
flat angles P-C4'-P energy: -124.214
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: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -2381.985465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2381.985465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2381.985465 (E_RNA)
where:
Base-Base interactions energy: -1619.420
where: short stacking energy: -683.904
Base-Backbone interact. energy: -2.195
local terms energy: -760.370490
where:
bonds (distance) C4'-P energy: -142.758
bonds (distance) P-C4' energy: -156.645
flat angles C4'-P-C4' energy: -150.040
flat angles P-C4'-P energy: -111.317
tors. eta vs tors. theta energy: -199.611
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: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -2220.206922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2220.206922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2220.206922 (E_RNA)
where:
Base-Base interactions energy: -1515.015
where: short stacking energy: -623.685
Base-Backbone interact. energy: -2.844
local terms energy: -702.347998
where:
bonds (distance) C4'-P energy: -144.245
bonds (distance) P-C4' energy: -141.172
flat angles C4'-P-C4' energy: -152.893
flat angles P-C4'-P energy: -85.734
tors. eta vs tors. theta energy: -178.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1968.743130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.743130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.743130 (E_RNA)
where:
Base-Base interactions energy: -1293.188
where: short stacking energy: -570.157
Base-Backbone interact. energy: -3.803
local terms energy: -671.751688
where:
bonds (distance) C4'-P energy: -132.901
bonds (distance) P-C4' energy: -134.293
flat angles C4'-P-C4' energy: -137.713
flat angles P-C4'-P energy: -105.889
tors. eta vs tors. theta energy: -160.956
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: 6
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1679.443653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.443653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.443653 (E_RNA)
where:
Base-Base interactions energy: -1082.232
where: short stacking energy: -424.092
Base-Backbone interact. energy: -3.381
local terms energy: -593.830461
where:
bonds (distance) C4'-P energy: -132.927
bonds (distance) P-C4' energy: -149.200
flat angles C4'-P-C4' energy: -125.721
flat angles P-C4'-P energy: -91.871
tors. eta vs tors. theta energy: -94.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1302.676660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.676660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.676660 (E_RNA)
where:
Base-Base interactions energy: -807.290
where: short stacking energy: -336.008
Base-Backbone interact. energy: 0.399
local terms energy: -495.785960
where:
bonds (distance) C4'-P energy: -108.861
bonds (distance) P-C4' energy: -127.718
flat angles C4'-P-C4' energy: -126.957
flat angles P-C4'-P energy: -71.007
tors. eta vs tors. theta energy: -61.242
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: 7
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -935.139053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.139053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.139053 (E_RNA)
where:
Base-Base interactions energy: -495.056
where: short stacking energy: -263.430
Base-Backbone interact. energy: 5.160
local terms energy: -445.243278
where:
bonds (distance) C4'-P energy: -101.049
bonds (distance) P-C4' energy: -132.298
flat angles C4'-P-C4' energy: -117.833
flat angles P-C4'-P energy: -72.960
tors. eta vs tors. theta energy: -21.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -657.058291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.058291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.058291 (E_RNA)
where:
Base-Base interactions energy: -282.999
where: short stacking energy: -184.484
Base-Backbone interact. energy: -4.134
local terms energy: -369.925435
where:
bonds (distance) C4'-P energy: -112.503
bonds (distance) P-C4' energy: -127.007
flat angles C4'-P-C4' energy: -100.469
flat angles P-C4'-P energy: -49.394
tors. eta vs tors. theta energy: 19.447
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: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2665.261834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.261834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.261834 (E_RNA)
where:
Base-Base interactions energy: -1820.118
where: short stacking energy: -783.845
Base-Backbone interact. energy: -3.521
local terms energy: -841.622862
where:
bonds (distance) C4'-P energy: -145.336
bonds (distance) P-C4' energy: -161.864
flat angles C4'-P-C4' energy: -176.833
flat angles P-C4'-P energy: -128.931
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: 5
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -2587.150011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.150011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.150011 (E_RNA)
where:
Base-Base interactions energy: -1812.619
where: short stacking energy: -792.945
Base-Backbone interact. energy: -0.792
local terms energy: -773.738669
where:
bonds (distance) C4'-P energy: -134.439
bonds (distance) P-C4' energy: -152.182
flat angles C4'-P-C4' energy: -167.927
flat angles P-C4'-P energy: -97.323
tors. eta vs tors. theta energy: -221.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -2479.971041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2479.971041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2479.971041 (E_RNA)
where:
Base-Base interactions energy: -1732.552
where: short stacking energy: -699.722
Base-Backbone interact. energy: 0.360
local terms energy: -747.779151
where:
bonds (distance) C4'-P energy: -143.573
bonds (distance) P-C4' energy: -126.303
flat angles C4'-P-C4' energy: -159.789
flat angles P-C4'-P energy: -106.228
tors. eta vs tors. theta energy: -211.887
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: 3
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -2358.685751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.685751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.685751 (E_RNA)
where:
Base-Base interactions energy: -1621.027
where: short stacking energy: -658.788
Base-Backbone interact. energy: 0.732
local terms energy: -738.390862
where:
bonds (distance) C4'-P energy: -127.968
bonds (distance) P-C4' energy: -149.714
flat angles C4'-P-C4' energy: -159.817
flat angles P-C4'-P energy: -101.959
tors. eta vs tors. theta energy: -198.933
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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -2198.453971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.453971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.453971 (E_RNA)
where:
Base-Base interactions energy: -1470.478
where: short stacking energy: -602.764
Base-Backbone interact. energy: -0.012
local terms energy: -727.964525
where:
bonds (distance) C4'-P energy: -141.452
bonds (distance) P-C4' energy: -141.599
flat angles C4'-P-C4' energy: -165.775
flat angles P-C4'-P energy: -100.037
tors. eta vs tors. theta energy: -179.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1942.910616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.910616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.910616 (E_RNA)
where:
Base-Base interactions energy: -1272.868
where: short stacking energy: -549.093
Base-Backbone interact. energy: 0.333
local terms energy: -670.374824
where:
bonds (distance) C4'-P energy: -126.768
bonds (distance) P-C4' energy: -145.599
flat angles C4'-P-C4' energy: -161.920
flat angles P-C4'-P energy: -92.093
tors. eta vs tors. theta energy: -143.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1632.190357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.190357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.190357 (E_RNA)
where:
Base-Base interactions energy: -1048.046
where: short stacking energy: -424.984
Base-Backbone interact. energy: -0.196
local terms energy: -583.948336
where:
bonds (distance) C4'-P energy: -132.874
bonds (distance) P-C4' energy: -149.754
flat angles C4'-P-C4' energy: -132.512
flat angles P-C4'-P energy: -72.785
tors. eta vs tors. theta energy: -96.023
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: 392
Temperature: 1.250000
Total energy: -1374.798770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.798770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.798770 (E_RNA)
where:
Base-Base interactions energy: -843.891
where: short stacking energy: -402.626
Base-Backbone interact. energy: -1.726
local terms energy: -529.181907
where:
bonds (distance) C4'-P energy: -121.215
bonds (distance) P-C4' energy: -149.619
flat angles C4'-P-C4' energy: -109.114
flat angles P-C4'-P energy: -81.198
tors. eta vs tors. theta energy: -68.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -926.101549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.101549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.101549 (E_RNA)
where:
Base-Base interactions energy: -505.678
where: short stacking energy: -253.630
Base-Backbone interact. energy: 10.108
local terms energy: -430.531022
where:
bonds (distance) C4'-P energy: -110.086
bonds (distance) P-C4' energy: -141.117
flat angles C4'-P-C4' energy: -103.521
flat angles P-C4'-P energy: -57.473
tors. eta vs tors. theta energy: -18.335
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: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -613.761488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.761488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.761488 (E_RNA)
where:
Base-Base interactions energy: -238.089
where: short stacking energy: -146.013
Base-Backbone interact. energy: 2.537
local terms energy: -378.209024
where:
bonds (distance) C4'-P energy: -127.312
bonds (distance) P-C4' energy: -127.991
flat angles C4'-P-C4' energy: -101.465
flat angles P-C4'-P energy: -44.853
tors. eta vs tors. theta energy: 23.413
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: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2660.849467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.849467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.849467 (E_RNA)
where:
Base-Base interactions energy: -1841.586
where: short stacking energy: -775.366
Base-Backbone interact. energy: -3.613
local terms energy: -815.650818
where:
bonds (distance) C4'-P energy: -149.935
bonds (distance) P-C4' energy: -141.933
flat angles C4'-P-C4' energy: -171.517
flat angles P-C4'-P energy: -121.660
tors. eta vs tors. theta energy: -230.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2598.934741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2598.934741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2598.934741 (E_RNA)
where:
Base-Base interactions energy: -1771.821
where: short stacking energy: -724.827
Base-Backbone interact. energy: -2.031
local terms energy: -825.082489
where:
bonds (distance) C4'-P energy: -149.393
bonds (distance) P-C4' energy: -159.643
flat angles C4'-P-C4' energy: -165.107
flat angles P-C4'-P energy: -116.306
tors. eta vs tors. theta energy: -234.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -2452.625219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.625219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.625219 (E_RNA)
where:
Base-Base interactions energy: -1706.626
where: short stacking energy: -732.309
Base-Backbone interact. energy: -2.157
local terms energy: -743.842123
where:
bonds (distance) C4'-P energy: -125.743
bonds (distance) P-C4' energy: -139.374
flat angles C4'-P-C4' energy: -164.729
flat angles P-C4'-P energy: -115.730
tors. eta vs tors. theta energy: -198.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -2302.349828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.349828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.349828 (E_RNA)
where:
Base-Base interactions energy: -1587.969
where: short stacking energy: -656.792
Base-Backbone interact. energy: -1.966
local terms energy: -712.414897
where:
bonds (distance) C4'-P energy: -140.163
bonds (distance) P-C4' energy: -140.662
flat angles C4'-P-C4' energy: -140.411
flat angles P-C4'-P energy: -96.702
tors. eta vs tors. theta energy: -194.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -2160.323127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.323127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.323127 (E_RNA)
where:
Base-Base interactions energy: -1449.460
where: short stacking energy: -602.979
Base-Backbone interact. energy: 1.468
local terms energy: -712.330735
where:
bonds (distance) C4'-P energy: -126.234
bonds (distance) P-C4' energy: -154.268
flat angles C4'-P-C4' energy: -145.895
flat angles P-C4'-P energy: -112.405
tors. eta vs tors. theta energy: -173.528
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: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1904.364453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.364453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.364453 (E_RNA)
where:
Base-Base interactions energy: -1271.472
where: short stacking energy: -537.261
Base-Backbone interact. energy: 0.101
local terms energy: -632.993749
where:
bonds (distance) C4'-P energy: -127.506
bonds (distance) P-C4' energy: -127.113
flat angles C4'-P-C4' energy: -153.793
flat angles P-C4'-P energy: -78.420
tors. eta vs tors. theta energy: -146.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1725.419603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.419603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.419603 (E_RNA)
where:
Base-Base interactions energy: -1144.014
where: short stacking energy: -480.690
Base-Backbone interact. energy: -2.422
local terms energy: -578.983550
where:
bonds (distance) C4'-P energy: -127.144
bonds (distance) P-C4' energy: -118.397
flat angles C4'-P-C4' energy: -124.054
flat angles P-C4'-P energy: -90.758
tors. eta vs tors. theta energy: -118.630
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: 393
Temperature: 1.250000
Total energy: -1275.334935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.334935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.334935 (E_RNA)
where:
Base-Base interactions energy: -783.159
where: short stacking energy: -338.711
Base-Backbone interact. energy: -3.362
local terms energy: -488.814158
where:
bonds (distance) C4'-P energy: -129.053
bonds (distance) P-C4' energy: -108.140
flat angles C4'-P-C4' energy: -110.539
flat angles P-C4'-P energy: -85.298
tors. eta vs tors. theta energy: -55.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -940.617325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.617325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.617325 (E_RNA)
where:
Base-Base interactions energy: -474.835
where: short stacking energy: -271.225
Base-Backbone interact. energy: -1.186
local terms energy: -464.596534
where:
bonds (distance) C4'-P energy: -106.465
bonds (distance) P-C4' energy: -121.699
flat angles C4'-P-C4' energy: -130.163
flat angles P-C4'-P energy: -78.673
tors. eta vs tors. theta energy: -27.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -652.429454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.429454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.429454 (E_RNA)
where:
Base-Base interactions energy: -244.153
where: short stacking energy: -157.395
Base-Backbone interact. energy: 12.222
local terms energy: -420.498574
where:
bonds (distance) C4'-P energy: -119.622
bonds (distance) P-C4' energy: -137.370
flat angles C4'-P-C4' energy: -115.880
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: 15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2675.039403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.039403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.039403 (E_RNA)
where:
Base-Base interactions energy: -1862.709
where: short stacking energy: -789.077
Base-Backbone interact. energy: -3.027
local terms energy: -809.303946
where:
bonds (distance) C4'-P energy: -145.933
bonds (distance) P-C4' energy: -133.871
flat angles C4'-P-C4' energy: -173.447
flat angles P-C4'-P energy: -116.905
tors. eta vs tors. theta energy: -239.148
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: 394
Temperature: 0.950000
Total energy: -2604.674291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.674291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.674291 (E_RNA)
where:
Base-Base interactions energy: -1810.988
where: short stacking energy: -761.598
Base-Backbone interact. energy: -0.365
local terms energy: -793.321215
where:
bonds (distance) C4'-P energy: -148.317
bonds (distance) P-C4' energy: -143.854
flat angles C4'-P-C4' energy: -167.375
flat angles P-C4'-P energy: -98.837
tors. eta vs tors. theta energy: -234.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -2435.619097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2435.619097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2435.619097 (E_RNA)
where:
Base-Base interactions energy: -1686.837
where: short stacking energy: -693.947
Base-Backbone interact. energy: 0.221
local terms energy: -749.002574
where:
bonds (distance) C4'-P energy: -134.956
bonds (distance) P-C4' energy: -144.446
flat angles C4'-P-C4' energy: -157.032
flat angles P-C4'-P energy: -108.186
tors. eta vs tors. theta energy: -204.383
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: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -2301.684235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.684235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.684235 (E_RNA)
where:
Base-Base interactions energy: -1583.940
where: short stacking energy: -641.928
Base-Backbone interact. energy: -2.965
local terms energy: -714.779968
where:
bonds (distance) C4'-P energy: -141.064
bonds (distance) P-C4' energy: -147.030
flat angles C4'-P-C4' energy: -144.713
flat angles P-C4'-P energy: -96.986
tors. eta vs tors. theta energy: -184.987
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: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -2183.544780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2183.544780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2183.544780 (E_RNA)
where:
Base-Base interactions energy: -1506.827
where: short stacking energy: -604.696
Base-Backbone interact. energy: -0.571
local terms energy: -676.146787
where:
bonds (distance) C4'-P energy: -112.099
bonds (distance) P-C4' energy: -130.671
flat angles C4'-P-C4' energy: -162.117
flat angles P-C4'-P energy: -99.158
tors. eta vs tors. theta energy: -172.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1992.849693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.849693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.849693 (E_RNA)
where:
Base-Base interactions energy: -1368.022
where: short stacking energy: -560.964
Base-Backbone interact. energy: -5.844
local terms energy: -618.983920
where:
bonds (distance) C4'-P energy: -145.283
bonds (distance) P-C4' energy: -116.329
flat angles C4'-P-C4' energy: -135.584
flat angles P-C4'-P energy: -84.373
tors. eta vs tors. theta energy: -137.414
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: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1709.628643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.628643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.628643 (E_RNA)
where:
Base-Base interactions energy: -1117.823
where: short stacking energy: -467.590
Base-Backbone interact. energy: 0.731
local terms energy: -592.536505
where:
bonds (distance) C4'-P energy: -124.498
bonds (distance) P-C4' energy: -125.264
flat angles C4'-P-C4' energy: -144.170
flat angles P-C4'-P energy: -76.788
tors. eta vs tors. theta energy: -121.816
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: 394
Temperature: 1.250000
Total energy: -1310.043339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.043339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.043339 (E_RNA)
where:
Base-Base interactions energy: -788.298
where: short stacking energy: -344.013
Base-Backbone interact. energy: -2.189
local terms energy: -519.556173
where:
bonds (distance) C4'-P energy: -130.729
bonds (distance) P-C4' energy: -133.276
flat angles C4'-P-C4' energy: -113.734
flat angles P-C4'-P energy: -73.886
tors. eta vs tors. theta energy: -67.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -984.303325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.303325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.303325 (E_RNA)
where:
Base-Base interactions energy: -519.460
where: short stacking energy: -272.317
Base-Backbone interact. energy: 10.024
local terms energy: -474.867216
where:
bonds (distance) C4'-P energy: -126.131
bonds (distance) P-C4' energy: -122.649
flat angles C4'-P-C4' energy: -132.531
flat angles P-C4'-P energy: -52.288
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -642.798961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.798961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.798961 (E_RNA)
where:
Base-Base interactions energy: -264.174
where: short stacking energy: -176.728
Base-Backbone interact. energy: 4.562
local terms energy: -383.186987
where:
bonds (distance) C4'-P energy: -101.438
bonds (distance) P-C4' energy: -146.886
flat angles C4'-P-C4' energy: -109.715
flat angles P-C4'-P energy: -49.510
tors. eta vs tors. theta energy: 24.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2659.973156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.973156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.973156 (E_RNA)
where:
Base-Base interactions energy: -1829.001
where: short stacking energy: -806.264
Base-Backbone interact. energy: -1.138
local terms energy: -829.834282
where:
bonds (distance) C4'-P energy: -151.598
bonds (distance) P-C4' energy: -161.856
flat angles C4'-P-C4' energy: -170.719
flat angles P-C4'-P energy: -102.328
tors. eta vs tors. theta energy: -243.333
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: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2597.802775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.802775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.802775 (E_RNA)
where:
Base-Base interactions energy: -1760.391
where: short stacking energy: -753.009
Base-Backbone interact. energy: -2.583
local terms energy: -834.828673
where:
bonds (distance) C4'-P energy: -150.321
bonds (distance) P-C4' energy: -164.262
flat angles C4'-P-C4' energy: -168.740
flat angles P-C4'-P energy: -109.834
tors. eta vs tors. theta energy: -241.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -2494.005271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2494.005271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2494.005271 (E_RNA)
where:
Base-Base interactions energy: -1714.603
where: short stacking energy: -710.499
Base-Backbone interact. energy: 4.202
local terms energy: -783.604964
where:
bonds (distance) C4'-P energy: -143.959
bonds (distance) P-C4' energy: -162.100
flat angles C4'-P-C4' energy: -158.982
flat angles P-C4'-P energy: -104.148
tors. eta vs tors. theta energy: -214.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -2309.403256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.403256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.403256 (E_RNA)
where:
Base-Base interactions energy: -1585.831
where: short stacking energy: -673.700
Base-Backbone interact. energy: 0.524
local terms energy: -724.096762
where:
bonds (distance) C4'-P energy: -139.654
bonds (distance) P-C4' energy: -128.265
flat angles C4'-P-C4' energy: -153.496
flat angles P-C4'-P energy: -99.686
tors. eta vs tors. theta energy: -202.996
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: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -2158.875960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2158.875960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2158.875960 (E_RNA)
where:
Base-Base interactions energy: -1488.464
where: short stacking energy: -605.856
Base-Backbone interact. energy: -3.492
local terms energy: -666.920313
where:
bonds (distance) C4'-P energy: -122.218
bonds (distance) P-C4' energy: -114.265
flat angles C4'-P-C4' energy: -145.855
flat angles P-C4'-P energy: -114.338
tors. eta vs tors. theta energy: -170.243
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: 6, replica: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1971.152371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.152371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.152371 (E_RNA)
where:
Base-Base interactions energy: -1315.800
where: short stacking energy: -570.024
Base-Backbone interact. energy: -4.085
local terms energy: -651.266971
where:
bonds (distance) C4'-P energy: -127.031
bonds (distance) P-C4' energy: -128.743
flat angles C4'-P-C4' energy: -144.179
flat angles P-C4'-P energy: -95.822
tors. eta vs tors. theta energy: -155.492
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: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1658.337909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.337909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.337909 (E_RNA)
where:
Base-Base interactions energy: -1042.885
where: short stacking energy: -461.910
Base-Backbone interact. energy: -5.132
local terms energy: -610.320983
where:
bonds (distance) C4'-P energy: -129.479
bonds (distance) P-C4' energy: -146.221
flat angles C4'-P-C4' energy: -141.909
flat angles P-C4'-P energy: -70.232
tors. eta vs tors. theta energy: -122.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1265.783074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.783074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.783074 (E_RNA)
where:
Base-Base interactions energy: -766.334
where: short stacking energy: -357.396
Base-Backbone interact. energy: -0.064
local terms energy: -499.385935
where:
bonds (distance) C4'-P energy: -135.361
bonds (distance) P-C4' energy: -117.234
flat angles C4'-P-C4' energy: -113.006
flat angles P-C4'-P energy: -77.196
tors. eta vs tors. theta energy: -56.589
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: 7
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -946.808349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.808349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.808349 (E_RNA)
where:
Base-Base interactions energy: -530.891
where: short stacking energy: -263.200
Base-Backbone interact. energy: -3.138
local terms energy: -412.779882
where:
bonds (distance) C4'-P energy: -110.883
bonds (distance) P-C4' energy: -139.509
flat angles C4'-P-C4' energy: -98.796
flat angles P-C4'-P energy: -60.240
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -684.580607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.580607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.580607 (E_RNA)
where:
Base-Base interactions energy: -305.447
where: short stacking energy: -176.198
Base-Backbone interact. energy: -2.070
local terms energy: -377.063160
where:
bonds (distance) C4'-P energy: -106.487
bonds (distance) P-C4' energy: -134.593
flat angles C4'-P-C4' energy: -109.078
flat angles P-C4'-P energy: -51.006
tors. eta vs tors. theta energy: 24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2665.975223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.975223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.975223 (E_RNA)
where:
Base-Base interactions energy: -1827.159
where: short stacking energy: -772.140
Base-Backbone interact. energy: -4.706
local terms energy: -834.109735
where:
bonds (distance) C4'-P energy: -171.539
bonds (distance) P-C4' energy: -148.914
flat angles C4'-P-C4' energy: -173.141
flat angles P-C4'-P energy: -106.460
tors. eta vs tors. theta energy: -234.056
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: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2608.797675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.797675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.797675 (E_RNA)
where:
Base-Base interactions energy: -1799.224
where: short stacking energy: -768.909
Base-Backbone interact. energy: -3.614
local terms energy: -805.959312
where:
bonds (distance) C4'-P energy: -136.926
bonds (distance) P-C4' energy: -129.929
flat angles C4'-P-C4' energy: -180.300
flat angles P-C4'-P energy: -111.841
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: 9
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -2415.114055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2415.114055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2415.114055 (E_RNA)
where:
Base-Base interactions energy: -1603.642
where: short stacking energy: -695.846
Base-Backbone interact. energy: -1.007
local terms energy: -810.465931
where:
bonds (distance) C4'-P energy: -167.542
bonds (distance) P-C4' energy: -152.701
flat angles C4'-P-C4' energy: -168.934
flat angles P-C4'-P energy: -109.828
tors. eta vs tors. theta energy: -211.462
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: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -2329.374649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.374649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.374649 (E_RNA)
where:
Base-Base interactions energy: -1611.177
where: short stacking energy: -668.658
Base-Backbone interact. energy: 2.908
local terms energy: -721.106213
where:
bonds (distance) C4'-P energy: -120.172
bonds (distance) P-C4' energy: -151.628
flat angles C4'-P-C4' energy: -157.561
flat angles P-C4'-P energy: -97.233
tors. eta vs tors. theta energy: -194.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -2163.586432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.586432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.586432 (E_RNA)
where:
Base-Base interactions energy: -1472.214
where: short stacking energy: -592.931
Base-Backbone interact. energy: -2.668
local terms energy: -688.705110
where:
bonds (distance) C4'-P energy: -139.802
bonds (distance) P-C4' energy: -144.440
flat angles C4'-P-C4' energy: -147.396
flat angles P-C4'-P energy: -93.196
tors. eta vs tors. theta energy: -163.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1981.510891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.510891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.510891 (E_RNA)
where:
Base-Base interactions energy: -1315.179
where: short stacking energy: -563.398
Base-Backbone interact. energy: -3.423
local terms energy: -662.908770
where:
bonds (distance) C4'-P energy: -134.783
bonds (distance) P-C4' energy: -134.326
flat angles C4'-P-C4' energy: -151.481
flat angles P-C4'-P energy: -77.235
tors. eta vs tors. theta energy: -165.083
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: 6
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1662.334162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.334162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.334162 (E_RNA)
where:
Base-Base interactions energy: -1054.862
where: short stacking energy: -470.991
Base-Backbone interact. energy: -1.784
local terms energy: -605.687873
where:
bonds (distance) C4'-P energy: -153.036
bonds (distance) P-C4' energy: -121.450
flat angles C4'-P-C4' energy: -144.046
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -115.813
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: 396
Temperature: 1.250000
Total energy: -1286.256186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.256186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.256186 (E_RNA)
where:
Base-Base interactions energy: -770.597
where: short stacking energy: -328.920
Base-Backbone interact. energy: -2.749
local terms energy: -512.910507
where:
bonds (distance) C4'-P energy: -115.646
bonds (distance) P-C4' energy: -118.312
flat angles C4'-P-C4' energy: -139.908
flat angles P-C4'-P energy: -82.220
tors. eta vs tors. theta energy: -56.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -950.670145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.670145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.670145 (E_RNA)
where:
Base-Base interactions energy: -497.299
where: short stacking energy: -248.073
Base-Backbone interact. energy: 8.096
local terms energy: -461.467048
where:
bonds (distance) C4'-P energy: -129.700
bonds (distance) P-C4' energy: -134.229
flat angles C4'-P-C4' energy: -112.666
flat angles P-C4'-P energy: -85.035
tors. eta vs tors. theta energy: 0.163
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: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -702.340870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.340870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.340870 (E_RNA)
where:
Base-Base interactions energy: -317.691
where: short stacking energy: -181.049
Base-Backbone interact. energy: 4.438
local terms energy: -389.087687
where:
bonds (distance) C4'-P energy: -111.979
bonds (distance) P-C4' energy: -132.130
flat angles C4'-P-C4' energy: -96.191
flat angles P-C4'-P energy: -69.935
tors. eta vs tors. theta energy: 21.148
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: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2675.589787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.589787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.589787 (E_RNA)
where:
Base-Base interactions energy: -1843.600
where: short stacking energy: -774.213
Base-Backbone interact. energy: -3.101
local terms energy: -828.888824
where:
bonds (distance) C4'-P energy: -150.016
bonds (distance) P-C4' energy: -148.746
flat angles C4'-P-C4' energy: -184.137
flat angles P-C4'-P energy: -107.171
tors. eta vs tors. theta energy: -238.819
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: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2614.084273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.084273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.084273 (E_RNA)
where:
Base-Base interactions energy: -1787.342
where: short stacking energy: -769.180
Base-Backbone interact. energy: -0.688
local terms energy: -826.054688
where:
bonds (distance) C4'-P energy: -145.405
bonds (distance) P-C4' energy: -155.623
flat angles C4'-P-C4' energy: -168.149
flat angles P-C4'-P energy: -109.134
tors. eta vs tors. theta energy: -247.743
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: 9
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -2451.265028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2451.265028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2451.265028 (E_RNA)
where:
Base-Base interactions energy: -1686.190
where: short stacking energy: -686.457
Base-Backbone interact. energy: -1.480
local terms energy: -763.595087
where:
bonds (distance) C4'-P energy: -137.372
bonds (distance) P-C4' energy: -128.509
flat angles C4'-P-C4' energy: -160.285
flat angles P-C4'-P energy: -120.780
tors. eta vs tors. theta energy: -216.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -2329.129187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.129187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.129187 (E_RNA)
where:
Base-Base interactions energy: -1589.418
where: short stacking energy: -659.846
Base-Backbone interact. energy: 2.012
local terms energy: -741.722762
where:
bonds (distance) C4'-P energy: -140.851
bonds (distance) P-C4' energy: -149.783
flat angles C4'-P-C4' energy: -160.029
flat angles P-C4'-P energy: -96.857
tors. eta vs tors. theta energy: -194.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -2206.114229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.114229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.114229 (E_RNA)
where:
Base-Base interactions energy: -1512.380
where: short stacking energy: -630.348
Base-Backbone interact. energy: -2.577
local terms energy: -691.156655
where:
bonds (distance) C4'-P energy: -133.498
bonds (distance) P-C4' energy: -132.517
flat angles C4'-P-C4' energy: -154.854
flat angles P-C4'-P energy: -106.636
tors. eta vs tors. theta energy: -163.651
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: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1987.423619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.423619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.423619 (E_RNA)
where:
Base-Base interactions energy: -1309.100
where: short stacking energy: -558.941
Base-Backbone interact. energy: -0.515
local terms energy: -677.807912
where:
bonds (distance) C4'-P energy: -121.392
bonds (distance) P-C4' energy: -128.456
flat angles C4'-P-C4' energy: -156.861
flat angles P-C4'-P energy: -104.922
tors. eta vs tors. theta energy: -166.177
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: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1679.023616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.023616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.023616 (E_RNA)
where:
Base-Base interactions energy: -1076.130
where: short stacking energy: -472.323
Base-Backbone interact. energy: -2.157
local terms energy: -600.736746
where:
bonds (distance) C4'-P energy: -134.242
bonds (distance) P-C4' energy: -126.865
flat angles C4'-P-C4' energy: -127.420
flat angles P-C4'-P energy: -86.137
tors. eta vs tors. theta energy: -126.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1284.609108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.609108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.609108 (E_RNA)
where:
Base-Base interactions energy: -775.160
where: short stacking energy: -338.970
Base-Backbone interact. energy: -2.954
local terms energy: -506.495791
where:
bonds (distance) C4'-P energy: -119.934
bonds (distance) P-C4' energy: -142.197
flat angles C4'-P-C4' energy: -122.150
flat angles P-C4'-P energy: -66.131
tors. eta vs tors. theta energy: -56.084
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: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -942.527887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.527887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.527887 (E_RNA)
where:
Base-Base interactions energy: -513.637
where: short stacking energy: -280.816
Base-Backbone interact. energy: -4.934
local terms energy: -423.956184
where:
bonds (distance) C4'-P energy: -130.658
bonds (distance) P-C4' energy: -149.403
flat angles C4'-P-C4' energy: -83.870
flat angles P-C4'-P energy: -61.750
tors. eta vs tors. theta energy: 1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -632.137006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.137006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.137006 (E_RNA)
where:
Base-Base interactions energy: -253.726
where: short stacking energy: -158.174
Base-Backbone interact. energy: 1.718
local terms energy: -380.128588
where:
bonds (distance) C4'-P energy: -117.813
bonds (distance) P-C4' energy: -126.991
flat angles C4'-P-C4' energy: -110.691
flat angles P-C4'-P energy: -43.402
tors. eta vs tors. theta energy: 18.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2670.153668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2670.153668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2670.153668 (E_RNA)
where:
Base-Base interactions energy: -1853.030
where: short stacking energy: -786.875
Base-Backbone interact. energy: -5.252
local terms energy: -811.871558
where:
bonds (distance) C4'-P energy: -159.389
bonds (distance) P-C4' energy: -141.610
flat angles C4'-P-C4' energy: -163.835
flat angles P-C4'-P energy: -118.513
tors. eta vs tors. theta energy: -228.525
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: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2605.755903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2605.755903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2605.755903 (E_RNA)
where:
Base-Base interactions energy: -1797.431
where: short stacking energy: -770.443
Base-Backbone interact. energy: 2.812
local terms energy: -811.137027
where:
bonds (distance) C4'-P energy: -150.063
bonds (distance) P-C4' energy: -127.782
flat angles C4'-P-C4' energy: -176.460
flat angles P-C4'-P energy: -114.904
tors. eta vs tors. theta energy: -241.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -2443.179686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.179686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.179686 (E_RNA)
where:
Base-Base interactions energy: -1676.220
where: short stacking energy: -672.594
Base-Backbone interact. energy: 0.490
local terms energy: -767.449500
where:
bonds (distance) C4'-P energy: -133.223
bonds (distance) P-C4' energy: -140.666
flat angles C4'-P-C4' energy: -166.998
flat angles P-C4'-P energy: -120.684
tors. eta vs tors. theta energy: -205.879
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: 3
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -2341.850931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.850931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.850931 (E_RNA)
where:
Base-Base interactions energy: -1595.260
where: short stacking energy: -652.637
Base-Backbone interact. energy: 0.542
local terms energy: -747.132121
where:
bonds (distance) C4'-P energy: -148.069
bonds (distance) P-C4' energy: -135.988
flat angles C4'-P-C4' energy: -165.951
flat angles P-C4'-P energy: -94.573
tors. eta vs tors. theta energy: -202.552
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: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -2212.036928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2212.036928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2212.036928 (E_RNA)
where:
Base-Base interactions energy: -1520.182
where: short stacking energy: -581.241
Base-Backbone interact. energy: -2.621
local terms energy: -689.234029
where:
bonds (distance) C4'-P energy: -125.581
bonds (distance) P-C4' energy: -134.656
flat angles C4'-P-C4' energy: -162.226
flat angles P-C4'-P energy: -97.739
tors. eta vs tors. theta energy: -169.032
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: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1927.799181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.799181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.799181 (E_RNA)
where:
Base-Base interactions energy: -1314.332
where: short stacking energy: -577.441
Base-Backbone interact. energy: -2.363
local terms energy: -611.105007
where:
bonds (distance) C4'-P energy: -114.304
bonds (distance) P-C4' energy: -138.311
flat angles C4'-P-C4' energy: -130.038
flat angles P-C4'-P energy: -81.621
tors. eta vs tors. theta energy: -146.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1685.146009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.146009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.146009 (E_RNA)
where:
Base-Base interactions energy: -1097.191
where: short stacking energy: -431.240
Base-Backbone interact. energy: -0.479
local terms energy: -587.475943
where:
bonds (distance) C4'-P energy: -130.525
bonds (distance) P-C4' energy: -150.225
flat angles C4'-P-C4' energy: -135.405
flat angles P-C4'-P energy: -65.597
tors. eta vs tors. theta energy: -105.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1317.925966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.925966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.925966 (E_RNA)
where:
Base-Base interactions energy: -803.839
where: short stacking energy: -403.722
Base-Backbone interact. energy: 2.763
local terms energy: -516.849647
where:
bonds (distance) C4'-P energy: -110.999
bonds (distance) P-C4' energy: -124.152
flat angles C4'-P-C4' energy: -124.134
flat angles P-C4'-P energy: -87.612
tors. eta vs tors. theta energy: -69.952
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: 7
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -925.882672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.882672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.882672 (E_RNA)
where:
Base-Base interactions energy: -485.451
where: short stacking energy: -267.322
Base-Backbone interact. energy: 0.741
local terms energy: -441.172668
where:
bonds (distance) C4'-P energy: -109.727
bonds (distance) P-C4' energy: -126.651
flat angles C4'-P-C4' energy: -110.009
flat angles P-C4'-P energy: -66.918
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -638.960576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.960576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.960576 (E_RNA)
where:
Base-Base interactions energy: -260.331
where: short stacking energy: -159.426
Base-Backbone interact. energy: 0.175
local terms energy: -378.803994
where:
bonds (distance) C4'-P energy: -124.500
bonds (distance) P-C4' energy: -131.836
flat angles C4'-P-C4' energy: -93.904
flat angles P-C4'-P energy: -54.053
tors. eta vs tors. theta energy: 25.489
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: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2658.689460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.689460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.689460 (E_RNA)
where:
Base-Base interactions energy: -1833.392
where: short stacking energy: -773.027
Base-Backbone interact. energy: -3.537
local terms energy: -821.760487
where:
bonds (distance) C4'-P energy: -153.439
bonds (distance) P-C4' energy: -143.327
flat angles C4'-P-C4' energy: -180.688
flat angles P-C4'-P energy: -116.020
tors. eta vs tors. theta energy: -228.286
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: 5
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2590.005303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.005303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.005303 (E_RNA)
where:
Base-Base interactions energy: -1783.181
where: short stacking energy: -758.420
Base-Backbone interact. energy: -2.164
local terms energy: -804.659861
where:
bonds (distance) C4'-P energy: -156.692
bonds (distance) P-C4' energy: -129.914
flat angles C4'-P-C4' energy: -175.635
flat angles P-C4'-P energy: -109.023
tors. eta vs tors. theta energy: -233.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -2455.781218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.781218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.781218 (E_RNA)
where:
Base-Base interactions energy: -1706.712
where: short stacking energy: -709.816
Base-Backbone interact. energy: 0.600
local terms energy: -749.669628
where:
bonds (distance) C4'-P energy: -127.969
bonds (distance) P-C4' energy: -123.727
flat angles C4'-P-C4' energy: -158.363
flat angles P-C4'-P energy: -111.993
tors. eta vs tors. theta energy: -227.618
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: 3
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -2334.083109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.083109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.083109 (E_RNA)
where:
Base-Base interactions energy: -1609.984
where: short stacking energy: -681.887
Base-Backbone interact. energy: 2.162
local terms energy: -726.261327
where:
bonds (distance) C4'-P energy: -136.710
bonds (distance) P-C4' energy: -126.654
flat angles C4'-P-C4' energy: -151.416
flat angles P-C4'-P energy: -101.809
tors. eta vs tors. theta energy: -209.672
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: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -2187.117545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2187.117545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2187.117545 (E_RNA)
where:
Base-Base interactions energy: -1502.903
where: short stacking energy: -635.773
Base-Backbone interact. energy: -1.083
local terms energy: -683.131608
where:
bonds (distance) C4'-P energy: -135.990
bonds (distance) P-C4' energy: -114.024
flat angles C4'-P-C4' energy: -143.328
flat angles P-C4'-P energy: -109.324
tors. eta vs tors. theta energy: -180.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1939.561721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.561721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.561721 (E_RNA)
where:
Base-Base interactions energy: -1286.880
where: short stacking energy: -585.522
Base-Backbone interact. energy: 1.418
local terms energy: -654.099630
where:
bonds (distance) C4'-P energy: -112.896
bonds (distance) P-C4' energy: -141.057
flat angles C4'-P-C4' energy: -153.520
flat angles P-C4'-P energy: -94.325
tors. eta vs tors. theta energy: -152.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1669.042130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.042130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.042130 (E_RNA)
where:
Base-Base interactions energy: -1113.016
where: short stacking energy: -488.757
Base-Backbone interact. energy: 10.768
local terms energy: -566.793497
where:
bonds (distance) C4'-P energy: -109.373
bonds (distance) P-C4' energy: -117.605
flat angles C4'-P-C4' energy: -131.625
flat angles P-C4'-P energy: -100.557
tors. eta vs tors. theta energy: -107.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1234.677855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.677855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.677855 (E_RNA)
where:
Base-Base interactions energy: -758.177
where: short stacking energy: -346.339
Base-Backbone interact. energy: -1.815
local terms energy: -474.686230
where:
bonds (distance) C4'-P energy: -118.294
bonds (distance) P-C4' energy: -130.528
flat angles C4'-P-C4' energy: -99.641
flat angles P-C4'-P energy: -64.737
tors. eta vs tors. theta energy: -61.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -945.794460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.794460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.794460 (E_RNA)
where:
Base-Base interactions energy: -477.515
where: short stacking energy: -246.928
Base-Backbone interact. energy: 5.008
local terms energy: -473.287208
where:
bonds (distance) C4'-P energy: -135.856
bonds (distance) P-C4' energy: -126.390
flat angles C4'-P-C4' energy: -136.590
flat angles P-C4'-P energy: -52.060
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -626.631079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.631079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.631079 (E_RNA)
where:
Base-Base interactions energy: -263.645
where: short stacking energy: -173.578
Base-Backbone interact. energy: -3.649
local terms energy: -359.336596
where:
bonds (distance) C4'-P energy: -119.236
bonds (distance) P-C4' energy: -142.420
flat angles C4'-P-C4' energy: -80.488
flat angles P-C4'-P energy: -43.356
tors. eta vs tors. theta energy: 26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2661.973981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2661.973981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2661.973981 (E_RNA)
where:
Base-Base interactions energy: -1822.380
where: short stacking energy: -784.399
Base-Backbone interact. energy: 1.318
local terms energy: -840.911329
where:
bonds (distance) C4'-P energy: -147.397
bonds (distance) P-C4' energy: -158.215
flat angles C4'-P-C4' energy: -178.256
flat angles P-C4'-P energy: -114.441
tors. eta vs tors. theta energy: -242.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2589.235351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.235351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.235351 (E_RNA)
where:
Base-Base interactions energy: -1769.296
where: short stacking energy: -747.306
Base-Backbone interact. energy: -1.373
local terms energy: -818.566869
where:
bonds (distance) C4'-P energy: -140.513
bonds (distance) P-C4' energy: -154.193
flat angles C4'-P-C4' energy: -172.036
flat angles P-C4'-P energy: -128.326
tors. eta vs tors. theta energy: -223.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -2450.598998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2450.598998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2450.598998 (E_RNA)
where:
Base-Base interactions energy: -1699.238
where: short stacking energy: -689.674
Base-Backbone interact. energy: -0.769
local terms energy: -750.592374
where:
bonds (distance) C4'-P energy: -122.521
bonds (distance) P-C4' energy: -144.211
flat angles C4'-P-C4' energy: -171.487
flat angles P-C4'-P energy: -105.379
tors. eta vs tors. theta energy: -206.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -2315.146140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.146140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.146140 (E_RNA)
where:
Base-Base interactions energy: -1602.872
where: short stacking energy: -658.955
Base-Backbone interact. energy: -1.555
local terms energy: -710.719168
where:
bonds (distance) C4'-P energy: -138.286
bonds (distance) P-C4' energy: -118.776
flat angles C4'-P-C4' energy: -167.478
flat angles P-C4'-P energy: -99.593
tors. eta vs tors. theta energy: -186.585
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: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -2206.163383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.163383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.163383 (E_RNA)
where:
Base-Base interactions energy: -1511.318
where: short stacking energy: -621.589
Base-Backbone interact. energy: -3.227
local terms energy: -691.618228
where:
bonds (distance) C4'-P energy: -125.459
bonds (distance) P-C4' energy: -127.098
flat angles C4'-P-C4' energy: -158.922
flat angles P-C4'-P energy: -90.529
tors. eta vs tors. theta energy: -189.610
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: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1935.383368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.383368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.383368 (E_RNA)
where:
Base-Base interactions energy: -1278.575
where: short stacking energy: -572.570
Base-Backbone interact. energy: 0.472
local terms energy: -657.281026
where:
bonds (distance) C4'-P energy: -126.157
bonds (distance) P-C4' energy: -122.067
flat angles C4'-P-C4' energy: -137.448
flat angles P-C4'-P energy: -109.869
tors. eta vs tors. theta energy: -161.739
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: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1693.240346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.240346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.240346 (E_RNA)
where:
Base-Base interactions energy: -1115.120
where: short stacking energy: -504.485
Base-Backbone interact. energy: -2.458
local terms energy: -575.662196
where:
bonds (distance) C4'-P energy: -134.126
bonds (distance) P-C4' energy: -127.002
flat angles C4'-P-C4' energy: -109.963
flat angles P-C4'-P energy: -77.353
tors. eta vs tors. theta energy: -127.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1209.724096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.724096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.724096 (E_RNA)
where:
Base-Base interactions energy: -703.002
where: short stacking energy: -336.012
Base-Backbone interact. energy: 1.895
local terms energy: -508.617038
where:
bonds (distance) C4'-P energy: -133.742
bonds (distance) P-C4' energy: -129.826
flat angles C4'-P-C4' energy: -119.419
flat angles P-C4'-P energy: -84.562
tors. eta vs tors. theta energy: -41.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -934.689597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.689597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.689597 (E_RNA)
where:
Base-Base interactions energy: -472.418
where: short stacking energy: -260.508
Base-Backbone interact. energy: 0.946
local terms energy: -463.217312
where:
bonds (distance) C4'-P energy: -130.911
bonds (distance) P-C4' energy: -137.269
flat angles C4'-P-C4' energy: -113.935
flat angles P-C4'-P energy: -69.930
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -610.856892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.856892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.856892 (E_RNA)
where:
Base-Base interactions energy: -239.499
where: short stacking energy: -166.419
Base-Backbone interact. energy: -1.134
local terms energy: -370.223145
where:
bonds (distance) C4'-P energy: -95.768
bonds (distance) P-C4' energy: -121.418
flat angles C4'-P-C4' energy: -103.889
flat angles P-C4'-P energy: -58.146
tors. eta vs tors. theta energy: 8.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2647.063724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.063724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.063724 (E_RNA)
where:
Base-Base interactions energy: -1828.830
where: short stacking energy: -788.001
Base-Backbone interact. energy: -5.811
local terms energy: -812.421949
where:
bonds (distance) C4'-P energy: -137.133
bonds (distance) P-C4' energy: -149.021
flat angles C4'-P-C4' energy: -170.641
flat angles P-C4'-P energy: -115.961
tors. eta vs tors. theta energy: -239.666
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: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2638.501954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.501954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.501954 (E_RNA)
where:
Base-Base interactions energy: -1813.924
where: short stacking energy: -767.342
Base-Backbone interact. energy: -1.121
local terms energy: -823.456709
where:
bonds (distance) C4'-P energy: -150.775
bonds (distance) P-C4' energy: -146.878
flat angles C4'-P-C4' energy: -177.281
flat angles P-C4'-P energy: -107.254
tors. eta vs tors. theta energy: -241.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -2486.539439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.539439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.539439 (E_RNA)
where:
Base-Base interactions energy: -1727.693
where: short stacking energy: -730.573
Base-Backbone interact. energy: -4.930
local terms energy: -753.916453
where:
bonds (distance) C4'-P energy: -124.175
bonds (distance) P-C4' energy: -139.261
flat angles C4'-P-C4' energy: -167.763
flat angles P-C4'-P energy: -116.617
tors. eta vs tors. theta energy: -206.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -2296.555392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.555392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.555392 (E_RNA)
where:
Base-Base interactions energy: -1577.108
where: short stacking energy: -649.761
Base-Backbone interact. energy: -0.444
local terms energy: -719.003653
where:
bonds (distance) C4'-P energy: -125.339
bonds (distance) P-C4' energy: -136.619
flat angles C4'-P-C4' energy: -153.296
flat angles P-C4'-P energy: -96.964
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: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -2215.510748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2215.510748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2215.510748 (E_RNA)
where:
Base-Base interactions energy: -1542.382
where: short stacking energy: -634.177
Base-Backbone interact. energy: -3.024
local terms energy: -670.104782
where:
bonds (distance) C4'-P energy: -132.530
bonds (distance) P-C4' energy: -133.138
flat angles C4'-P-C4' energy: -136.924
flat angles P-C4'-P energy: -83.673
tors. eta vs tors. theta energy: -183.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1946.059978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.059978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.059978 (E_RNA)
where:
Base-Base interactions energy: -1288.661
where: short stacking energy: -575.020
Base-Backbone interact. energy: -1.890
local terms energy: -655.508792
where:
bonds (distance) C4'-P energy: -126.844
bonds (distance) P-C4' energy: -111.729
flat angles C4'-P-C4' energy: -160.668
flat angles P-C4'-P energy: -93.011
tors. eta vs tors. theta energy: -163.255
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: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1695.135706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.135706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.135706 (E_RNA)
where:
Base-Base interactions energy: -1100.232
where: short stacking energy: -473.746
Base-Backbone interact. energy: -2.227
local terms energy: -592.676841
where:
bonds (distance) C4'-P energy: -126.831
bonds (distance) P-C4' energy: -139.852
flat angles C4'-P-C4' energy: -132.729
flat angles P-C4'-P energy: -77.828
tors. eta vs tors. theta energy: -115.438
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: 4
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1265.001849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.001849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.001849 (E_RNA)
where:
Base-Base interactions energy: -763.970
where: short stacking energy: -362.184
Base-Backbone interact. energy: -2.644
local terms energy: -498.388232
where:
bonds (distance) C4'-P energy: -108.245
bonds (distance) P-C4' energy: -132.924
flat angles C4'-P-C4' energy: -121.151
flat angles P-C4'-P energy: -77.691
tors. eta vs tors. theta energy: -58.377
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: 7
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -992.995626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.995626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.995626 (E_RNA)
where:
Base-Base interactions energy: -511.287
where: short stacking energy: -263.960
Base-Backbone interact. energy: -1.964
local terms energy: -479.745573
where:
bonds (distance) C4'-P energy: -110.608
bonds (distance) P-C4' energy: -134.079
flat angles C4'-P-C4' energy: -121.861
flat angles P-C4'-P energy: -83.884
tors. eta vs tors. theta energy: -29.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -656.899656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.899656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.899656 (E_RNA)
where:
Base-Base interactions energy: -251.972
where: short stacking energy: -159.273
Base-Backbone interact. energy: -0.835
local terms energy: -404.092059
where:
bonds (distance) C4'-P energy: -120.992
bonds (distance) P-C4' energy: -140.057
flat angles C4'-P-C4' energy: -102.018
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: 10.561
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: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -2682.682294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2682.682294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2682.682294 (E_RNA)
where:
Base-Base interactions energy: -1826.129
where: short stacking energy: -781.482
Base-Backbone interact. energy: 0.033
local terms energy: -856.586116
where:
bonds (distance) C4'-P energy: -145.453
bonds (distance) P-C4' energy: -158.191
flat angles C4'-P-C4' energy: -187.097
flat angles P-C4'-P energy: -120.491
tors. eta vs tors. theta energy: -245.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -2627.875962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2627.875962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2627.875962 (E_RNA)
where:
Base-Base interactions energy: -1829.876
where: short stacking energy: -760.667
Base-Backbone interact. energy: -3.914
local terms energy: -794.085812
where:
bonds (distance) C4'-P energy: -136.562
bonds (distance) P-C4' energy: -158.311
flat angles C4'-P-C4' energy: -162.641
flat angles P-C4'-P energy: -103.104
tors. eta vs tors. theta energy: -233.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -2500.272408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.272408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.272408 (E_RNA)
where:
Base-Base interactions energy: -1722.768
where: short stacking energy: -723.054
Base-Backbone interact. energy: -3.435
local terms energy: -774.069103
where:
bonds (distance) C4'-P energy: -150.155
bonds (distance) P-C4' energy: -143.634
flat angles C4'-P-C4' energy: -168.167
flat angles P-C4'-P energy: -110.166
tors. eta vs tors. theta energy: -201.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -2358.266830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.266830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.266830 (E_RNA)
where:
Base-Base interactions energy: -1626.897
where: short stacking energy: -665.811
Base-Backbone interact. energy: -2.137
local terms energy: -729.232908
where:
bonds (distance) C4'-P energy: -136.729
bonds (distance) P-C4' energy: -142.770
flat angles C4'-P-C4' energy: -154.336
flat angles P-C4'-P energy: -106.993
tors. eta vs tors. theta energy: -188.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -2165.922163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.922163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.922163 (E_RNA)
where:
Base-Base interactions energy: -1497.606
where: short stacking energy: -613.467
Base-Backbone interact. energy: -1.585
local terms energy: -666.731682
where:
bonds (distance) C4'-P energy: -121.456
bonds (distance) P-C4' energy: -133.654
flat angles C4'-P-C4' energy: -147.355
flat angles P-C4'-P energy: -101.743
tors. eta vs tors. theta energy: -162.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -2018.751061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.751061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.751061 (E_RNA)
where:
Base-Base interactions energy: -1342.583
where: short stacking energy: -599.935
Base-Backbone interact. energy: -0.133
local terms energy: -676.034695
where:
bonds (distance) C4'-P energy: -117.940
bonds (distance) P-C4' energy: -140.978
flat angles C4'-P-C4' energy: -166.749
flat angles P-C4'-P energy: -91.457
tors. eta vs tors. theta energy: -158.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1686.352425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.352425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.352425 (E_RNA)
where:
Base-Base interactions energy: -1130.302
where: short stacking energy: -469.114
Base-Backbone interact. energy: -0.608
local terms energy: -555.442291
where:
bonds (distance) C4'-P energy: -119.893
bonds (distance) P-C4' energy: -121.851
flat angles C4'-P-C4' energy: -121.903
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -112.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1262.775421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.775421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.775421 (E_RNA)
where:
Base-Base interactions energy: -758.143
where: short stacking energy: -358.952
Base-Backbone interact. energy: -2.810
local terms energy: -501.822149
where:
bonds (distance) C4'-P energy: -123.193
bonds (distance) P-C4' energy: -119.452
flat angles C4'-P-C4' energy: -121.358
flat angles P-C4'-P energy: -81.818
tors. eta vs tors. theta energy: -56.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -978.831880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.831880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.831880 (E_RNA)
where:
Base-Base interactions energy: -533.597
where: short stacking energy: -290.483
Base-Backbone interact. energy: -2.802
local terms energy: -442.432978
where:
bonds (distance) C4'-P energy: -103.448
bonds (distance) P-C4' energy: -132.252
flat angles C4'-P-C4' energy: -119.752
flat angles P-C4'-P energy: -60.545
tors. eta vs tors. theta energy: -26.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -628.991725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.991725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.991725 (E_RNA)
where:
Base-Base interactions energy: -246.166
where: short stacking energy: -178.362
Base-Backbone interact. energy: 2.726
local terms energy: -385.551386
where:
bonds (distance) C4'-P energy: -134.266
bonds (distance) P-C4' energy: -126.007
flat angles C4'-P-C4' energy: -96.219
flat angles P-C4'-P energy: -53.580
tors. eta vs tors. theta energy: 24.521
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: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2680.603519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.603519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.603519 (E_RNA)
where:
Base-Base interactions energy: -1848.141
where: short stacking energy: -765.706
Base-Backbone interact. energy: 0.104
local terms energy: -832.566336
where:
bonds (distance) C4'-P energy: -151.758
bonds (distance) P-C4' energy: -162.283
flat angles C4'-P-C4' energy: -164.592
flat angles P-C4'-P energy: -115.006
tors. eta vs tors. theta energy: -238.927
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: 2
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2604.322836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.322836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.322836 (E_RNA)
where:
Base-Base interactions energy: -1769.884
where: short stacking energy: -747.325
Base-Backbone interact. energy: -3.509
local terms energy: -830.929748
where:
bonds (distance) C4'-P energy: -154.486
bonds (distance) P-C4' energy: -158.453
flat angles C4'-P-C4' energy: -174.018
flat angles P-C4'-P energy: -109.256
tors. eta vs tors. theta energy: -234.718
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: 403
Temperature: 1.000000
Total energy: -2510.139360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.139360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.139360 (E_RNA)
where:
Base-Base interactions energy: -1725.529
where: short stacking energy: -705.034
Base-Backbone interact. energy: -2.333
local terms energy: -782.277473
where:
bonds (distance) C4'-P energy: -145.042
bonds (distance) P-C4' energy: -151.440
flat angles C4'-P-C4' energy: -168.379
flat angles P-C4'-P energy: -107.713
tors. eta vs tors. theta energy: -209.704
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: 3
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -2375.990916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2375.990916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2375.990916 (E_RNA)
where:
Base-Base interactions energy: -1617.505
where: short stacking energy: -693.039
Base-Backbone interact. energy: -0.055
local terms energy: -758.430633
where:
bonds (distance) C4'-P energy: -137.115
bonds (distance) P-C4' energy: -141.399
flat angles C4'-P-C4' energy: -159.912
flat angles P-C4'-P energy: -118.275
tors. eta vs tors. theta energy: -201.728
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: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -2120.304842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.304842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.304842 (E_RNA)
where:
Base-Base interactions energy: -1432.712
where: short stacking energy: -585.509
Base-Backbone interact. energy: -1.227
local terms energy: -686.365229
where:
bonds (distance) C4'-P energy: -116.338
bonds (distance) P-C4' energy: -132.415
flat angles C4'-P-C4' energy: -156.900
flat angles P-C4'-P energy: -103.583
tors. eta vs tors. theta energy: -177.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1960.025955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.025955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.025955 (E_RNA)
where:
Base-Base interactions energy: -1305.831
where: short stacking energy: -544.243
Base-Backbone interact. energy: 0.281
local terms energy: -654.475282
where:
bonds (distance) C4'-P energy: -120.266
bonds (distance) P-C4' energy: -137.203
flat angles C4'-P-C4' energy: -141.856
flat angles P-C4'-P energy: -98.717
tors. eta vs tors. theta energy: -156.434
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1693.264119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.264119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.264119 (E_RNA)
where:
Base-Base interactions energy: -1118.595
where: short stacking energy: -469.228
Base-Backbone interact. energy: 0.909
local terms energy: -575.578522
where:
bonds (distance) C4'-P energy: -108.174
bonds (distance) P-C4' energy: -124.694
flat angles C4'-P-C4' energy: -128.235
flat angles P-C4'-P energy: -91.910
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: 4
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1257.528953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.528953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.528953 (E_RNA)
where:
Base-Base interactions energy: -770.222
where: short stacking energy: -365.172
Base-Backbone interact. energy: -0.124
local terms energy: -487.182635
where:
bonds (distance) C4'-P energy: -105.102
bonds (distance) P-C4' energy: -118.381
flat angles C4'-P-C4' energy: -119.537
flat angles P-C4'-P energy: -84.807
tors. eta vs tors. theta energy: -59.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -959.401176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.401176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.401176 (E_RNA)
where:
Base-Base interactions energy: -480.227
where: short stacking energy: -257.057
Base-Backbone interact. energy: 5.879
local terms energy: -485.052933
where:
bonds (distance) C4'-P energy: -136.627
bonds (distance) P-C4' energy: -122.694
flat angles C4'-P-C4' energy: -126.519
flat angles P-C4'-P energy: -82.248
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -690.313128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.313128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.313128 (E_RNA)
where:
Base-Base interactions energy: -270.657
where: short stacking energy: -161.784
Base-Backbone interact. energy: -0.508
local terms energy: -419.147896
where:
bonds (distance) C4'-P energy: -138.542
bonds (distance) P-C4' energy: -122.970
flat angles C4'-P-C4' energy: -112.856
flat angles P-C4'-P energy: -52.118
tors. eta vs tors. theta energy: 7.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2656.209127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2656.209127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2656.209127 (E_RNA)
where:
Base-Base interactions energy: -1811.314
where: short stacking energy: -774.616
Base-Backbone interact. energy: -2.410
local terms energy: -842.485101
where:
bonds (distance) C4'-P energy: -151.118
bonds (distance) P-C4' energy: -154.533
flat angles C4'-P-C4' energy: -176.643
flat angles P-C4'-P energy: -120.689
tors. eta vs tors. theta energy: -239.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2610.186719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.186719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.186719 (E_RNA)
where:
Base-Base interactions energy: -1816.957
where: short stacking energy: -743.466
Base-Backbone interact. energy: -3.797
local terms energy: -789.433178
where:
bonds (distance) C4'-P energy: -142.752
bonds (distance) P-C4' energy: -148.241
flat angles C4'-P-C4' energy: -158.955
flat angles P-C4'-P energy: -107.172
tors. eta vs tors. theta energy: -232.314
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: 404
Temperature: 1.000000
Total energy: -2512.534931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.534931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.534931 (E_RNA)
where:
Base-Base interactions energy: -1732.392
where: short stacking energy: -705.440
Base-Backbone interact. energy: -4.574
local terms energy: -775.569094
where:
bonds (distance) C4'-P energy: -149.899
bonds (distance) P-C4' energy: -154.902
flat angles C4'-P-C4' energy: -155.103
flat angles P-C4'-P energy: -109.755
tors. eta vs tors. theta energy: -205.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -2384.946315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2384.946315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2384.946315 (E_RNA)
where:
Base-Base interactions energy: -1658.581
where: short stacking energy: -695.576
Base-Backbone interact. energy: -1.243
local terms energy: -725.123104
where:
bonds (distance) C4'-P energy: -129.892
bonds (distance) P-C4' energy: -133.212
flat angles C4'-P-C4' energy: -158.602
flat angles P-C4'-P energy: -92.212
tors. eta vs tors. theta energy: -211.205
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: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -2157.843209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.843209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.843209 (E_RNA)
where:
Base-Base interactions energy: -1451.115
where: short stacking energy: -608.145
Base-Backbone interact. energy: -0.535
local terms energy: -706.194067
where:
bonds (distance) C4'-P energy: -129.727
bonds (distance) P-C4' energy: -142.789
flat angles C4'-P-C4' energy: -146.958
flat angles P-C4'-P energy: -97.632
tors. eta vs tors. theta energy: -189.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1980.100694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.100694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.100694 (E_RNA)
where:
Base-Base interactions energy: -1316.969
where: short stacking energy: -566.947
Base-Backbone interact. energy: 0.819
local terms energy: -663.950188
where:
bonds (distance) C4'-P energy: -135.368
bonds (distance) P-C4' energy: -131.369
flat angles C4'-P-C4' energy: -147.618
flat angles P-C4'-P energy: -96.371
tors. eta vs tors. theta energy: -153.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1721.233843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.233843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.233843 (E_RNA)
where:
Base-Base interactions energy: -1096.802
where: short stacking energy: -473.575
Base-Backbone interact. energy: 3.632
local terms energy: -628.063139
where:
bonds (distance) C4'-P energy: -134.044
bonds (distance) P-C4' energy: -125.373
flat angles C4'-P-C4' energy: -147.562
flat angles P-C4'-P energy: -97.262
tors. eta vs tors. theta energy: -123.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1260.248604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.248604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.248604 (E_RNA)
where:
Base-Base interactions energy: -741.396
where: short stacking energy: -355.588
Base-Backbone interact. energy: 1.239
local terms energy: -520.091273
where:
bonds (distance) C4'-P energy: -119.750
bonds (distance) P-C4' energy: -136.990
flat angles C4'-P-C4' energy: -128.210
flat angles P-C4'-P energy: -80.618
tors. eta vs tors. theta energy: -54.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1002.487586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.487586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.487586 (E_RNA)
where:
Base-Base interactions energy: -539.936
where: short stacking energy: -275.707
Base-Backbone interact. energy: 3.607
local terms energy: -466.157651
where:
bonds (distance) C4'-P energy: -118.981
bonds (distance) P-C4' energy: -122.642
flat angles C4'-P-C4' energy: -139.635
flat angles P-C4'-P energy: -67.916
tors. eta vs tors. theta energy: -16.984
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: 1
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -667.214031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.214031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.214031 (E_RNA)
where:
Base-Base interactions energy: -283.360
where: short stacking energy: -175.936
Base-Backbone interact. energy: -3.159
local terms energy: -380.695273
where:
bonds (distance) C4'-P energy: -112.690
bonds (distance) P-C4' energy: -116.861
flat angles C4'-P-C4' energy: -112.827
flat angles P-C4'-P energy: -68.514
tors. eta vs tors. theta energy: 30.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2675.677673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.677673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.677673 (E_RNA)
where:
Base-Base interactions energy: -1855.618
where: short stacking energy: -800.162
Base-Backbone interact. energy: -4.145
local terms energy: -815.914850
where:
bonds (distance) C4'-P energy: -134.401
bonds (distance) P-C4' energy: -140.453
flat angles C4'-P-C4' energy: -176.435
flat angles P-C4'-P energy: -127.911
tors. eta vs tors. theta energy: -236.716
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: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2593.126070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.126070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.126070 (E_RNA)
where:
Base-Base interactions energy: -1810.563
where: short stacking energy: -768.188
Base-Backbone interact. energy: -3.731
local terms energy: -778.831880
where:
bonds (distance) C4'-P energy: -138.243
bonds (distance) P-C4' energy: -137.455
flat angles C4'-P-C4' energy: -168.470
flat angles P-C4'-P energy: -102.378
tors. eta vs tors. theta energy: -232.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2440.884989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2440.884989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2440.884989 (E_RNA)
where:
Base-Base interactions energy: -1690.417
where: short stacking energy: -660.020
Base-Backbone interact. energy: -1.583
local terms energy: -748.884274
where:
bonds (distance) C4'-P energy: -126.509
bonds (distance) P-C4' energy: -150.983
flat angles C4'-P-C4' energy: -167.398
flat angles P-C4'-P energy: -105.143
tors. eta vs tors. theta energy: -198.851
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: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -2335.650910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.650910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.650910 (E_RNA)
where:
Base-Base interactions energy: -1593.967
where: short stacking energy: -648.843
Base-Backbone interact. energy: -1.473
local terms energy: -740.210974
where:
bonds (distance) C4'-P energy: -140.583
bonds (distance) P-C4' energy: -141.756
flat angles C4'-P-C4' energy: -163.638
flat angles P-C4'-P energy: -97.944
tors. eta vs tors. theta energy: -196.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -2160.404635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2160.404635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2160.404635 (E_RNA)
where:
Base-Base interactions energy: -1471.951
where: short stacking energy: -631.203
Base-Backbone interact. energy: -1.679
local terms energy: -686.774067
where:
bonds (distance) C4'-P energy: -129.957
bonds (distance) P-C4' energy: -137.767
flat angles C4'-P-C4' energy: -146.944
flat angles P-C4'-P energy: -92.346
tors. eta vs tors. theta energy: -179.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1985.356380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.356380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.356380 (E_RNA)
where:
Base-Base interactions energy: -1312.659
where: short stacking energy: -579.676
Base-Backbone interact. energy: -1.194
local terms energy: -671.503265
where:
bonds (distance) C4'-P energy: -127.867
bonds (distance) P-C4' energy: -128.538
flat angles C4'-P-C4' energy: -159.018
flat angles P-C4'-P energy: -98.775
tors. eta vs tors. theta energy: -157.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1743.802642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.802642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.802642 (E_RNA)
where:
Base-Base interactions energy: -1134.522
where: short stacking energy: -498.761
Base-Backbone interact. energy: -1.141
local terms energy: -608.140146
where:
bonds (distance) C4'-P energy: -112.130
bonds (distance) P-C4' energy: -130.678
flat angles C4'-P-C4' energy: -141.850
flat angles P-C4'-P energy: -87.519
tors. eta vs tors. theta energy: -135.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1217.541975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.541975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.541975 (E_RNA)
where:
Base-Base interactions energy: -743.504
where: short stacking energy: -329.805
Base-Backbone interact. energy: -1.232
local terms energy: -472.805083
where:
bonds (distance) C4'-P energy: -119.270
bonds (distance) P-C4' energy: -132.068
flat angles C4'-P-C4' energy: -112.515
flat angles P-C4'-P energy: -60.684
tors. eta vs tors. theta energy: -48.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1004.422740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.422740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.422740 (E_RNA)
where:
Base-Base interactions energy: -556.791
where: short stacking energy: -274.813
Base-Backbone interact. energy: -0.873
local terms energy: -446.758602
where:
bonds (distance) C4'-P energy: -118.107
bonds (distance) P-C4' energy: -107.808
flat angles C4'-P-C4' energy: -137.878
flat angles P-C4'-P energy: -69.965
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -626.290634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.290634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.290634 (E_RNA)
where:
Base-Base interactions energy: -240.916
where: short stacking energy: -127.982
Base-Backbone interact. energy: 0.302
local terms energy: -385.677096
where:
bonds (distance) C4'-P energy: -123.285
bonds (distance) P-C4' energy: -119.153
flat angles C4'-P-C4' energy: -107.424
flat angles P-C4'-P energy: -57.997
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: 406
Temperature: 0.900000
Total energy: -2674.297149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2674.297149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2674.297149 (E_RNA)
where:
Base-Base interactions energy: -1823.604
where: short stacking energy: -778.195
Base-Backbone interact. energy: -1.890
local terms energy: -848.803172
where:
bonds (distance) C4'-P energy: -138.595
bonds (distance) P-C4' energy: -165.914
flat angles C4'-P-C4' energy: -186.917
flat angles P-C4'-P energy: -111.678
tors. eta vs tors. theta energy: -245.699
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: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2599.662278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2599.662278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2599.662278 (E_RNA)
where:
Base-Base interactions energy: -1800.979
where: short stacking energy: -774.439
Base-Backbone interact. energy: -3.879
local terms energy: -794.803357
where:
bonds (distance) C4'-P energy: -138.790
bonds (distance) P-C4' energy: -148.775
flat angles C4'-P-C4' energy: -166.091
flat angles P-C4'-P energy: -110.284
tors. eta vs tors. theta energy: -230.863
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: 406
Temperature: 1.000000
Total energy: -2464.662160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2464.662160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2464.662160 (E_RNA)
where:
Base-Base interactions energy: -1716.972
where: short stacking energy: -699.049
Base-Backbone interact. energy: -0.457
local terms energy: -747.233126
where:
bonds (distance) C4'-P energy: -135.200
bonds (distance) P-C4' energy: -141.447
flat angles C4'-P-C4' energy: -168.124
flat angles P-C4'-P energy: -113.456
tors. eta vs tors. theta energy: -189.006
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: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -2327.710498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.710498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.710498 (E_RNA)
where:
Base-Base interactions energy: -1611.484
where: short stacking energy: -648.085
Base-Backbone interact. energy: -0.916
local terms energy: -715.309827
where:
bonds (distance) C4'-P energy: -135.887
bonds (distance) P-C4' energy: -115.237
flat angles C4'-P-C4' energy: -164.521
flat angles P-C4'-P energy: -97.518
tors. eta vs tors. theta energy: -202.147
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: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -2195.315417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2195.315417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2195.315417 (E_RNA)
where:
Base-Base interactions energy: -1493.877
where: short stacking energy: -600.629
Base-Backbone interact. energy: -0.640
local terms energy: -700.798573
where:
bonds (distance) C4'-P energy: -125.783
bonds (distance) P-C4' energy: -140.552
flat angles C4'-P-C4' energy: -144.573
flat angles P-C4'-P energy: -96.583
tors. eta vs tors. theta energy: -193.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -2000.129657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.129657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.129657 (E_RNA)
where:
Base-Base interactions energy: -1317.668
where: short stacking energy: -562.429
Base-Backbone interact. energy: -2.093
local terms energy: -680.368245
where:
bonds (distance) C4'-P energy: -126.975
bonds (distance) P-C4' energy: -137.362
flat angles C4'-P-C4' energy: -157.172
flat angles P-C4'-P energy: -105.837
tors. eta vs tors. theta energy: -153.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1770.405735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.405735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.405735 (E_RNA)
where:
Base-Base interactions energy: -1142.076
where: short stacking energy: -503.667
Base-Backbone interact. energy: 0.992
local terms energy: -629.321534
where:
bonds (distance) C4'-P energy: -123.656
bonds (distance) P-C4' energy: -146.626
flat angles C4'-P-C4' energy: -144.012
flat angles P-C4'-P energy: -87.655
tors. eta vs tors. theta energy: -127.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1240.252432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.252432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.252432 (E_RNA)
where:
Base-Base interactions energy: -753.598
where: short stacking energy: -369.611
Base-Backbone interact. energy: -3.578
local terms energy: -483.076989
where:
bonds (distance) C4'-P energy: -122.146
bonds (distance) P-C4' energy: -114.662
flat angles C4'-P-C4' energy: -123.803
flat angles P-C4'-P energy: -63.505
tors. eta vs tors. theta energy: -58.961
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: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -970.863508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.863508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.863508 (E_RNA)
where:
Base-Base interactions energy: -533.411
where: short stacking energy: -280.762
Base-Backbone interact. energy: -1.065
local terms energy: -436.386896
where:
bonds (distance) C4'-P energy: -91.531
bonds (distance) P-C4' energy: -135.901
flat angles C4'-P-C4' energy: -112.482
flat angles P-C4'-P energy: -67.979
tors. eta vs tors. theta energy: -28.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -681.286255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.286255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.286255 (E_RNA)
where:
Base-Base interactions energy: -252.901
where: short stacking energy: -158.374
Base-Backbone interact. energy: -0.784
local terms energy: -427.600379
where:
bonds (distance) C4'-P energy: -109.194
bonds (distance) P-C4' energy: -154.714
flat angles C4'-P-C4' energy: -92.612
flat angles P-C4'-P energy: -78.589
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: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -2694.020426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.020426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.020426 (E_RNA)
where:
Base-Base interactions energy: -1847.445
where: short stacking energy: -765.265
Base-Backbone interact. energy: -1.499
local terms energy: -845.076935
where:
bonds (distance) C4'-P energy: -156.024
bonds (distance) P-C4' energy: -150.390
flat angles C4'-P-C4' energy: -176.080
flat angles P-C4'-P energy: -116.941
tors. eta vs tors. theta energy: -245.641
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: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2601.570275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.570275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.570275 (E_RNA)
where:
Base-Base interactions energy: -1776.742
where: short stacking energy: -753.407
Base-Backbone interact. energy: -0.678
local terms energy: -824.150829
where:
bonds (distance) C4'-P energy: -150.439
bonds (distance) P-C4' energy: -136.472
flat angles C4'-P-C4' energy: -171.540
flat angles P-C4'-P energy: -130.515
tors. eta vs tors. theta energy: -235.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -2443.722522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2443.722522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2443.722522 (E_RNA)
where:
Base-Base interactions energy: -1692.544
where: short stacking energy: -690.850
Base-Backbone interact. energy: -5.518
local terms energy: -745.660257
where:
bonds (distance) C4'-P energy: -130.818
bonds (distance) P-C4' energy: -135.370
flat angles C4'-P-C4' energy: -173.801
flat angles P-C4'-P energy: -111.735
tors. eta vs tors. theta energy: -193.937
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: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -2268.838513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2268.838513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2268.838513 (E_RNA)
where:
Base-Base interactions energy: -1535.434
where: short stacking energy: -650.624
Base-Backbone interact. energy: -5.064
local terms energy: -728.340765
where:
bonds (distance) C4'-P energy: -142.405
bonds (distance) P-C4' energy: -138.242
flat angles C4'-P-C4' energy: -137.207
flat angles P-C4'-P energy: -116.694
tors. eta vs tors. theta energy: -193.792
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: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -2118.825682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.825682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.825682 (E_RNA)
where:
Base-Base interactions energy: -1408.996
where: short stacking energy: -581.374
Base-Backbone interact. energy: -2.176
local terms energy: -707.653741
where:
bonds (distance) C4'-P energy: -133.946
bonds (distance) P-C4' energy: -134.656
flat angles C4'-P-C4' energy: -158.828
flat angles P-C4'-P energy: -94.436
tors. eta vs tors. theta energy: -185.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -2050.091248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.091248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.091248 (E_RNA)
where:
Base-Base interactions energy: -1383.271
where: short stacking energy: -595.374
Base-Backbone interact. energy: -1.598
local terms energy: -665.222107
where:
bonds (distance) C4'-P energy: -131.447
bonds (distance) P-C4' energy: -127.565
flat angles C4'-P-C4' energy: -150.983
flat angles P-C4'-P energy: -100.664
tors. eta vs tors. theta energy: -154.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1850.279528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.279528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.279528 (E_RNA)
where:
Base-Base interactions energy: -1211.514
where: short stacking energy: -520.695
Base-Backbone interact. energy: -2.039
local terms energy: -636.727106
where:
bonds (distance) C4'-P energy: -113.573
bonds (distance) P-C4' energy: -131.015
flat angles C4'-P-C4' energy: -137.100
flat angles P-C4'-P energy: -109.300
tors. eta vs tors. theta energy: -145.739
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: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1223.663309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.663309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.663309 (E_RNA)
where:
Base-Base interactions energy: -717.186
where: short stacking energy: -354.240
Base-Backbone interact. energy: -2.391
local terms energy: -504.085966
where:
bonds (distance) C4'-P energy: -108.900
bonds (distance) P-C4' energy: -136.334
flat angles C4'-P-C4' energy: -131.278
flat angles P-C4'-P energy: -73.459
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: 7
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1021.210241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.210241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.210241 (E_RNA)
where:
Base-Base interactions energy: -530.348
where: short stacking energy: -285.656
Base-Backbone interact. energy: 8.881
local terms energy: -499.742631
where:
bonds (distance) C4'-P energy: -135.607
bonds (distance) P-C4' energy: -130.740
flat angles C4'-P-C4' energy: -121.750
flat angles P-C4'-P energy: -87.144
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: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -702.530383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.530383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.530383 (E_RNA)
where:
Base-Base interactions energy: -320.543
where: short stacking energy: -172.319
Base-Backbone interact. energy: 2.309
local terms energy: -384.295828
where:
bonds (distance) C4'-P energy: -130.518
bonds (distance) P-C4' energy: -139.918
flat angles C4'-P-C4' energy: -88.182
flat angles P-C4'-P energy: -39.339
tors. eta vs tors. theta energy: 13.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2658.666959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.666959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.666959 (E_RNA)
where:
Base-Base interactions energy: -1835.012
where: short stacking energy: -777.562
Base-Backbone interact. energy: -3.118
local terms energy: -820.536606
where:
bonds (distance) C4'-P energy: -144.304
bonds (distance) P-C4' energy: -155.358
flat angles C4'-P-C4' energy: -167.371
flat angles P-C4'-P energy: -119.558
tors. eta vs tors. theta energy: -233.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2583.737876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.737876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.737876 (E_RNA)
where:
Base-Base interactions energy: -1780.299
where: short stacking energy: -743.968
Base-Backbone interact. energy: -0.912
local terms energy: -802.526748
where:
bonds (distance) C4'-P energy: -136.839
bonds (distance) P-C4' energy: -147.228
flat angles C4'-P-C4' energy: -166.336
flat angles P-C4'-P energy: -117.218
tors. eta vs tors. theta energy: -234.905
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: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -2452.090733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2452.090733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2452.090733 (E_RNA)
where:
Base-Base interactions energy: -1704.107
where: short stacking energy: -683.819
Base-Backbone interact. energy: -4.575
local terms energy: -743.408441
where:
bonds (distance) C4'-P energy: -142.268
bonds (distance) P-C4' energy: -148.712
flat angles C4'-P-C4' energy: -167.061
flat angles P-C4'-P energy: -82.637
tors. eta vs tors. theta energy: -202.730
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -2284.376553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.376553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.376553 (E_RNA)
where:
Base-Base interactions energy: -1574.549
where: short stacking energy: -655.490
Base-Backbone interact. energy: 0.081
local terms energy: -709.908680
where:
bonds (distance) C4'-P energy: -127.185
bonds (distance) P-C4' energy: -118.962
flat angles C4'-P-C4' energy: -150.332
flat angles P-C4'-P energy: -112.642
tors. eta vs tors. theta energy: -200.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -2138.229967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.229967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.229967 (E_RNA)
where:
Base-Base interactions energy: -1457.923
where: short stacking energy: -604.522
Base-Backbone interact. energy: 0.815
local terms energy: -681.121298
where:
bonds (distance) C4'-P energy: -132.524
bonds (distance) P-C4' energy: -145.469
flat angles C4'-P-C4' energy: -137.955
flat angles P-C4'-P energy: -95.016
tors. eta vs tors. theta energy: -170.158
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: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -2051.015870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.015870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.015870 (E_RNA)
where:
Base-Base interactions energy: -1391.131
where: short stacking energy: -601.411
Base-Backbone interact. energy: -2.377
local terms energy: -657.507754
where:
bonds (distance) C4'-P energy: -121.959
bonds (distance) P-C4' energy: -125.721
flat angles C4'-P-C4' energy: -157.505
flat angles P-C4'-P energy: -94.180
tors. eta vs tors. theta energy: -158.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1759.860903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.860903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.860903 (E_RNA)
where:
Base-Base interactions energy: -1147.194
where: short stacking energy: -498.920
Base-Backbone interact. energy: 1.801
local terms energy: -614.468421
where:
bonds (distance) C4'-P energy: -110.115
bonds (distance) P-C4' energy: -133.734
flat angles C4'-P-C4' energy: -139.350
flat angles P-C4'-P energy: -89.233
tors. eta vs tors. theta energy: -142.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1279.354458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.354458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.354458 (E_RNA)
where:
Base-Base interactions energy: -772.062
where: short stacking energy: -349.769
Base-Backbone interact. energy: 3.107
local terms energy: -510.399462
where:
bonds (distance) C4'-P energy: -109.463
bonds (distance) P-C4' energy: -130.073
flat angles C4'-P-C4' energy: -131.395
flat angles P-C4'-P energy: -82.904
tors. eta vs tors. theta energy: -56.564
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: 9, replica: 7
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1056.342356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.342356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.342356 (E_RNA)
where:
Base-Base interactions energy: -567.429
where: short stacking energy: -317.560
Base-Backbone interact. energy: -1.757
local terms energy: -487.156240
where:
bonds (distance) C4'-P energy: -112.830
bonds (distance) P-C4' energy: -131.762
flat angles C4'-P-C4' energy: -129.626
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -689.142175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.142175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.142175 (E_RNA)
where:
Base-Base interactions energy: -307.312
where: short stacking energy: -196.425
Base-Backbone interact. energy: -1.617
local terms energy: -380.213134
where:
bonds (distance) C4'-P energy: -120.516
bonds (distance) P-C4' energy: -127.969
flat angles C4'-P-C4' energy: -103.440
flat angles P-C4'-P energy: -30.749
tors. eta vs tors. theta energy: 2.461
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: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2703.859822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.859822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.859822 (E_RNA)
where:
Base-Base interactions energy: -1860.598
where: short stacking energy: -789.931
Base-Backbone interact. energy: -3.392
local terms energy: -839.869968
where:
bonds (distance) C4'-P energy: -136.600
bonds (distance) P-C4' energy: -156.806
flat angles C4'-P-C4' energy: -183.984
flat angles P-C4'-P energy: -121.879
tors. eta vs tors. theta energy: -240.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2580.431556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.431556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.431556 (E_RNA)
where:
Base-Base interactions energy: -1775.916
where: short stacking energy: -724.949
Base-Backbone interact. energy: -2.559
local terms energy: -801.956506
where:
bonds (distance) C4'-P energy: -149.531
bonds (distance) P-C4' energy: -151.991
flat angles C4'-P-C4' energy: -167.497
flat angles P-C4'-P energy: -100.016
tors. eta vs tors. theta energy: -232.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -2432.638192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2432.638192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2432.638192 (E_RNA)
where:
Base-Base interactions energy: -1697.021
where: short stacking energy: -705.439
Base-Backbone interact. energy: -3.011
local terms energy: -732.605768
where:
bonds (distance) C4'-P energy: -133.114
bonds (distance) P-C4' energy: -138.294
flat angles C4'-P-C4' energy: -150.696
flat angles P-C4'-P energy: -109.031
tors. eta vs tors. theta energy: -201.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -2265.852297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.852297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.852297 (E_RNA)
where:
Base-Base interactions energy: -1516.939
where: short stacking energy: -634.284
Base-Backbone interact. energy: 1.861
local terms energy: -750.774273
where:
bonds (distance) C4'-P energy: -141.092
bonds (distance) P-C4' energy: -138.109
flat angles C4'-P-C4' energy: -152.844
flat angles P-C4'-P energy: -116.461
tors. eta vs tors. theta energy: -202.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -2148.359734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.359734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.359734 (E_RNA)
where:
Base-Base interactions energy: -1467.419
where: short stacking energy: -608.280
Base-Backbone interact. energy: -0.205
local terms energy: -680.734885
where:
bonds (distance) C4'-P energy: -124.277
bonds (distance) P-C4' energy: -148.011
flat angles C4'-P-C4' energy: -142.612
flat angles P-C4'-P energy: -87.541
tors. eta vs tors. theta energy: -178.294
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: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -2031.583179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.583179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.583179 (E_RNA)
where:
Base-Base interactions energy: -1352.425
where: short stacking energy: -618.068
Base-Backbone interact. energy: 1.271
local terms energy: -680.428945
where:
bonds (distance) C4'-P energy: -121.617
bonds (distance) P-C4' energy: -143.867
flat angles C4'-P-C4' energy: -165.256
flat angles P-C4'-P energy: -87.527
tors. eta vs tors. theta energy: -162.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1746.824715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.824715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.824715 (E_RNA)
where:
Base-Base interactions energy: -1148.191
where: short stacking energy: -507.699
Base-Backbone interact. energy: -3.331
local terms energy: -595.303031
where:
bonds (distance) C4'-P energy: -122.918
bonds (distance) P-C4' energy: -121.835
flat angles C4'-P-C4' energy: -132.096
flat angles P-C4'-P energy: -86.828
tors. eta vs tors. theta energy: -131.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1310.449397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.449397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.449397 (E_RNA)
where:
Base-Base interactions energy: -824.797
where: short stacking energy: -382.667
Base-Backbone interact. energy: 7.266
local terms energy: -492.918452
where:
bonds (distance) C4'-P energy: -106.376
bonds (distance) P-C4' energy: -115.511
flat angles C4'-P-C4' energy: -115.711
flat angles P-C4'-P energy: -80.669
tors. eta vs tors. theta energy: -74.651
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: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1031.922792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.922792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.922792 (E_RNA)
where:
Base-Base interactions energy: -529.657
where: short stacking energy: -252.638
Base-Backbone interact. energy: -2.257
local terms energy: -500.008237
where:
bonds (distance) C4'-P energy: -131.824
bonds (distance) P-C4' energy: -138.682
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -72.480
tors. eta vs tors. theta energy: -37.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -739.125258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.125258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.125258 (E_RNA)
where:
Base-Base interactions energy: -334.052
where: short stacking energy: -202.571
Base-Backbone interact. energy: -2.677
local terms energy: -402.396020
where:
bonds (distance) C4'-P energy: -113.003
bonds (distance) P-C4' energy: -135.038
flat angles C4'-P-C4' energy: -112.449
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: 24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2668.689486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.689486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.689486 (E_RNA)
where:
Base-Base interactions energy: -1835.273
where: short stacking energy: -784.828
Base-Backbone interact. energy: -3.621
local terms energy: -829.795839
where:
bonds (distance) C4'-P energy: -155.356
bonds (distance) P-C4' energy: -146.571
flat angles C4'-P-C4' energy: -165.104
flat angles P-C4'-P energy: -119.722
tors. eta vs tors. theta energy: -243.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2608.577097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.577097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.577097 (E_RNA)
where:
Base-Base interactions energy: -1787.176
where: short stacking energy: -730.614
Base-Backbone interact. energy: -5.050
local terms energy: -816.351139
where:
bonds (distance) C4'-P energy: -149.590
bonds (distance) P-C4' energy: -144.505
flat angles C4'-P-C4' energy: -167.900
flat angles P-C4'-P energy: -116.295
tors. eta vs tors. theta energy: -238.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -2445.802625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2445.802625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2445.802625 (E_RNA)
where:
Base-Base interactions energy: -1701.241
where: short stacking energy: -682.802
Base-Backbone interact. energy: 0.590
local terms energy: -745.151778
where:
bonds (distance) C4'-P energy: -131.785
bonds (distance) P-C4' energy: -139.058
flat angles C4'-P-C4' energy: -168.253
flat angles P-C4'-P energy: -106.919
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: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -2276.870075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.870075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.870075 (E_RNA)
where:
Base-Base interactions energy: -1565.430
where: short stacking energy: -630.823
Base-Backbone interact. energy: -2.551
local terms energy: -708.888725
where:
bonds (distance) C4'-P energy: -141.645
bonds (distance) P-C4' energy: -143.085
flat angles C4'-P-C4' energy: -146.039
flat angles P-C4'-P energy: -88.787
tors. eta vs tors. theta energy: -189.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -2206.463911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2206.463911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2206.463911 (E_RNA)
where:
Base-Base interactions energy: -1502.561
where: short stacking energy: -611.680
Base-Backbone interact. energy: -5.549
local terms energy: -698.353664
where:
bonds (distance) C4'-P energy: -143.651
bonds (distance) P-C4' energy: -120.581
flat angles C4'-P-C4' energy: -151.294
flat angles P-C4'-P energy: -95.987
tors. eta vs tors. theta energy: -186.840
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: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -2031.053223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.053223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.053223 (E_RNA)
where:
Base-Base interactions energy: -1376.791
where: short stacking energy: -593.025
Base-Backbone interact. energy: 1.971
local terms energy: -656.233045
where:
bonds (distance) C4'-P energy: -133.514
bonds (distance) P-C4' energy: -109.905
flat angles C4'-P-C4' energy: -132.000
flat angles P-C4'-P energy: -108.047
tors. eta vs tors. theta energy: -172.767
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: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1650.148749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.148749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.148749 (E_RNA)
where:
Base-Base interactions energy: -1060.087
where: short stacking energy: -445.094
Base-Backbone interact. energy: -1.090
local terms energy: -588.971892
where:
bonds (distance) C4'-P energy: -121.442
bonds (distance) P-C4' energy: -135.010
flat angles C4'-P-C4' energy: -130.759
flat angles P-C4'-P energy: -94.572
tors. eta vs tors. theta energy: -107.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1276.077632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.077632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.077632 (E_RNA)
where:
Base-Base interactions energy: -727.608
where: short stacking energy: -352.578
Base-Backbone interact. energy: -3.049
local terms energy: -545.420753
where:
bonds (distance) C4'-P energy: -134.915
bonds (distance) P-C4' energy: -125.028
flat angles C4'-P-C4' energy: -127.742
flat angles P-C4'-P energy: -77.526
tors. eta vs tors. theta energy: -80.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -979.996325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.996325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.996325 (E_RNA)
where:
Base-Base interactions energy: -521.807
where: short stacking energy: -276.447
Base-Backbone interact. energy: 3.836
local terms energy: -462.025000
where:
bonds (distance) C4'-P energy: -122.085
bonds (distance) P-C4' energy: -122.725
flat angles C4'-P-C4' energy: -111.728
flat angles P-C4'-P energy: -68.660
tors. eta vs tors. theta energy: -36.827
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: 1
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -709.512738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.512738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.512738 (E_RNA)
where:
Base-Base interactions energy: -326.158
where: short stacking energy: -185.253
Base-Backbone interact. energy: 1.498
local terms energy: -384.852600
where:
bonds (distance) C4'-P energy: -88.594
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -116.183
flat angles P-C4'-P energy: -69.871
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2678.958806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.958806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.958806 (E_RNA)
where:
Base-Base interactions energy: -1826.488
where: short stacking energy: -785.606
Base-Backbone interact. energy: -4.148
local terms energy: -848.323103
where:
bonds (distance) C4'-P energy: -156.310
bonds (distance) P-C4' energy: -160.289
flat angles C4'-P-C4' energy: -168.963
flat angles P-C4'-P energy: -124.645
tors. eta vs tors. theta energy: -238.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2584.923309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.923309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.923309 (E_RNA)
where:
Base-Base interactions energy: -1788.892
where: short stacking energy: -758.334
Base-Backbone interact. energy: -4.387
local terms energy: -791.644381
where:
bonds (distance) C4'-P energy: -139.990
bonds (distance) P-C4' energy: -143.231
flat angles C4'-P-C4' energy: -164.307
flat angles P-C4'-P energy: -109.923
tors. eta vs tors. theta energy: -234.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -2418.902871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2418.902871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2418.902871 (E_RNA)
where:
Base-Base interactions energy: -1682.157
where: short stacking energy: -698.184
Base-Backbone interact. energy: -1.259
local terms energy: -735.486978
where:
bonds (distance) C4'-P energy: -140.298
bonds (distance) P-C4' energy: -137.447
flat angles C4'-P-C4' energy: -147.950
flat angles P-C4'-P energy: -107.223
tors. eta vs tors. theta energy: -202.569
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: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -2270.153230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.153230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.153230 (E_RNA)
where:
Base-Base interactions energy: -1544.463
where: short stacking energy: -627.111
Base-Backbone interact. energy: 7.303
local terms energy: -732.992874
where:
bonds (distance) C4'-P energy: -146.478
bonds (distance) P-C4' energy: -157.006
flat angles C4'-P-C4' energy: -139.307
flat angles P-C4'-P energy: -106.372
tors. eta vs tors. theta energy: -183.829
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: 5, replica: 3
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -2138.763017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.763017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.763017 (E_RNA)
where:
Base-Base interactions energy: -1448.172
where: short stacking energy: -619.753
Base-Backbone interact. energy: -0.755
local terms energy: -689.836284
where:
bonds (distance) C4'-P energy: -125.132
bonds (distance) P-C4' energy: -115.138
flat angles C4'-P-C4' energy: -158.960
flat angles P-C4'-P energy: -93.810
tors. eta vs tors. theta energy: -196.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -2033.662493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.662493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.662493 (E_RNA)
where:
Base-Base interactions energy: -1370.883
where: short stacking energy: -592.744
Base-Backbone interact. energy: -3.156
local terms energy: -659.622909
where:
bonds (distance) C4'-P energy: -123.090
bonds (distance) P-C4' energy: -129.047
flat angles C4'-P-C4' energy: -147.935
flat angles P-C4'-P energy: -101.253
tors. eta vs tors. theta energy: -158.298
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: 7, replica: 6
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1709.467465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.467465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.467465 (E_RNA)
where:
Base-Base interactions energy: -1101.146
where: short stacking energy: -498.922
Base-Backbone interact. energy: -0.401
local terms energy: -607.921217
where:
bonds (distance) C4'-P energy: -134.316
bonds (distance) P-C4' energy: -136.802
flat angles C4'-P-C4' energy: -132.311
flat angles P-C4'-P energy: -90.101
tors. eta vs tors. theta energy: -114.391
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: 4
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1317.479095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.479095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.479095 (E_RNA)
where:
Base-Base interactions energy: -830.519
where: short stacking energy: -363.578
Base-Backbone interact. energy: 2.507
local terms energy: -489.466519
where:
bonds (distance) C4'-P energy: -110.657
bonds (distance) P-C4' energy: -148.958
flat angles C4'-P-C4' energy: -111.357
flat angles P-C4'-P energy: -65.182
tors. eta vs tors. theta energy: -53.313
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: 7
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1022.127906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.127906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.127906 (E_RNA)
where:
Base-Base interactions energy: -564.057
where: short stacking energy: -281.208
Base-Backbone interact. energy: -2.709
local terms energy: -455.361334
where:
bonds (distance) C4'-P energy: -116.389
bonds (distance) P-C4' energy: -133.927
flat angles C4'-P-C4' energy: -90.311
flat angles P-C4'-P energy: -67.097
tors. eta vs tors. theta energy: -47.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -700.272393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.272393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.272393 (E_RNA)
where:
Base-Base interactions energy: -317.633
where: short stacking energy: -195.616
Base-Backbone interact. energy: 7.003
local terms energy: -389.642246
where:
bonds (distance) C4'-P energy: -108.170
bonds (distance) P-C4' energy: -123.334
flat angles C4'-P-C4' energy: -108.773
flat angles P-C4'-P energy: -56.345
tors. eta vs tors. theta energy: 6.980
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: 5
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -2669.323073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.323073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.323073 (E_RNA)
where:
Base-Base interactions energy: -1813.315
where: short stacking energy: -771.790
Base-Backbone interact. energy: 2.411
local terms energy: -858.419345
where:
bonds (distance) C4'-P energy: -146.508
bonds (distance) P-C4' energy: -162.921
flat angles C4'-P-C4' energy: -188.426
flat angles P-C4'-P energy: -117.064
tors. eta vs tors. theta energy: -243.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2620.437151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.437151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.437151 (E_RNA)
where:
Base-Base interactions energy: -1813.777
where: short stacking energy: -762.016
Base-Backbone interact. energy: -3.165
local terms energy: -803.494600
where:
bonds (distance) C4'-P energy: -121.665
bonds (distance) P-C4' energy: -155.113
flat angles C4'-P-C4' energy: -168.773
flat angles P-C4'-P energy: -113.456
tors. eta vs tors. theta energy: -244.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -2423.914311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2423.914311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2423.914311 (E_RNA)
where:
Base-Base interactions energy: -1713.036
where: short stacking energy: -690.266
Base-Backbone interact. energy: -3.656
local terms energy: -707.222092
where:
bonds (distance) C4'-P energy: -134.044
bonds (distance) P-C4' energy: -119.861
flat angles C4'-P-C4' energy: -160.107
flat angles P-C4'-P energy: -94.091
tors. eta vs tors. theta energy: -199.119
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: 4, replica: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -2280.994382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.994382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.994382 (E_RNA)
where:
Base-Base interactions energy: -1575.400
where: short stacking energy: -636.764
Base-Backbone interact. energy: -2.081
local terms energy: -703.513762
where:
bonds (distance) C4'-P energy: -117.392
bonds (distance) P-C4' energy: -135.788
flat angles C4'-P-C4' energy: -158.450
flat angles P-C4'-P energy: -101.607
tors. eta vs tors. theta energy: -190.277
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: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -2122.923695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.923695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.923695 (E_RNA)
where:
Base-Base interactions energy: -1465.248
where: short stacking energy: -608.873
Base-Backbone interact. energy: -2.484
local terms energy: -655.191237
where:
bonds (distance) C4'-P energy: -134.899
bonds (distance) P-C4' energy: -139.720
flat angles C4'-P-C4' energy: -130.873
flat angles P-C4'-P energy: -77.175
tors. eta vs tors. theta energy: -172.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -2010.491515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.491515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.491515 (E_RNA)
where:
Base-Base interactions energy: -1349.439
where: short stacking energy: -587.748
Base-Backbone interact. energy: 1.061
local terms energy: -662.113443
where:
bonds (distance) C4'-P energy: -129.022
bonds (distance) P-C4' energy: -130.471
flat angles C4'-P-C4' energy: -139.790
flat angles P-C4'-P energy: -90.481
tors. eta vs tors. theta energy: -172.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1612.121882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.121882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.121882 (E_RNA)
where:
Base-Base interactions energy: -998.484
where: short stacking energy: -477.105
Base-Backbone interact. energy: -2.814
local terms energy: -610.824142
where:
bonds (distance) C4'-P energy: -140.218
bonds (distance) P-C4' energy: -131.495
flat angles C4'-P-C4' energy: -124.474
flat angles P-C4'-P energy: -85.454
tors. eta vs tors. theta energy: -129.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1281.391549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.391549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.391549 (E_RNA)
where:
Base-Base interactions energy: -766.353
where: short stacking energy: -353.754
Base-Backbone interact. energy: -2.914
local terms energy: -512.124098
where:
bonds (distance) C4'-P energy: -117.232
bonds (distance) P-C4' energy: -134.474
flat angles C4'-P-C4' energy: -119.112
flat angles P-C4'-P energy: -82.316
tors. eta vs tors. theta energy: -58.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1113.153966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.153966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.153966 (E_RNA)
where:
Base-Base interactions energy: -638.779
where: short stacking energy: -311.072
Base-Backbone interact. energy: -2.902
local terms energy: -471.473298
where:
bonds (distance) C4'-P energy: -121.388
bonds (distance) P-C4' energy: -136.537
flat angles C4'-P-C4' energy: -115.752
flat angles P-C4'-P energy: -48.904
tors. eta vs tors. theta energy: -48.892
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: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -660.073610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.073610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.073610 (E_RNA)
where:
Base-Base interactions energy: -272.818
where: short stacking energy: -175.135
Base-Backbone interact. energy: -0.513
local terms energy: -386.742738
where:
bonds (distance) C4'-P energy: -123.082
bonds (distance) P-C4' energy: -112.188
flat angles C4'-P-C4' energy: -127.142
flat angles P-C4'-P energy: -63.728
tors. eta vs tors. theta energy: 39.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2663.448968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.448968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.448968 (E_RNA)
where:
Base-Base interactions energy: -1826.843
where: short stacking energy: -763.283
Base-Backbone interact. energy: 0.602
local terms energy: -837.208861
where:
bonds (distance) C4'-P energy: -152.067
bonds (distance) P-C4' energy: -147.610
flat angles C4'-P-C4' energy: -169.607
flat angles P-C4'-P energy: -127.893
tors. eta vs tors. theta energy: -240.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -2647.581981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2647.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2647.581981 (E_RNA)
where:
Base-Base interactions energy: -1816.142
where: short stacking energy: -757.307
Base-Backbone interact. energy: -2.828
local terms energy: -828.612055
where:
bonds (distance) C4'-P energy: -166.429
bonds (distance) P-C4' energy: -157.178
flat angles C4'-P-C4' energy: -164.563
flat angles P-C4'-P energy: -103.032
tors. eta vs tors. theta energy: -237.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -2465.833846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.833846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.833846 (E_RNA)
where:
Base-Base interactions energy: -1717.912
where: short stacking energy: -703.948
Base-Backbone interact. energy: -2.063
local terms energy: -745.859218
where:
bonds (distance) C4'-P energy: -148.676
bonds (distance) P-C4' energy: -119.518
flat angles C4'-P-C4' energy: -159.644
flat angles P-C4'-P energy: -119.754
tors. eta vs tors. theta energy: -198.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -2335.246581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.246581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.246581 (E_RNA)
where:
Base-Base interactions energy: -1596.300
where: short stacking energy: -644.387
Base-Backbone interact. energy: -0.238
local terms energy: -738.708250
where:
bonds (distance) C4'-P energy: -155.189
bonds (distance) P-C4' energy: -116.470
flat angles C4'-P-C4' energy: -150.812
flat angles P-C4'-P energy: -116.199
tors. eta vs tors. theta energy: -200.038
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: 5, replica: 3
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -2106.144356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.144356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.144356 (E_RNA)
where:
Base-Base interactions energy: -1459.026
where: short stacking energy: -607.247
Base-Backbone interact. energy: 0.924
local terms energy: -648.042161
where:
bonds (distance) C4'-P energy: -123.017
bonds (distance) P-C4' energy: -128.631
flat angles C4'-P-C4' energy: -139.592
flat angles P-C4'-P energy: -90.499
tors. eta vs tors. theta energy: -166.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -2044.258726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.258726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.258726 (E_RNA)
where:
Base-Base interactions energy: -1358.707
where: short stacking energy: -591.196
Base-Backbone interact. energy: -1.711
local terms energy: -683.839991
where:
bonds (distance) C4'-P energy: -138.307
bonds (distance) P-C4' energy: -129.927
flat angles C4'-P-C4' energy: -149.778
flat angles P-C4'-P energy: -105.408
tors. eta vs tors. theta energy: -160.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1635.443986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.443986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.443986 (E_RNA)
where:
Base-Base interactions energy: -1060.990
where: short stacking energy: -470.374
Base-Backbone interact. energy: 3.114
local terms energy: -577.568351
where:
bonds (distance) C4'-P energy: -116.996
bonds (distance) P-C4' energy: -138.270
flat angles C4'-P-C4' energy: -136.439
flat angles P-C4'-P energy: -74.081
tors. eta vs tors. theta energy: -111.783
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: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1330.290799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.290799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.290799 (E_RNA)
where:
Base-Base interactions energy: -802.047
where: short stacking energy: -344.664
Base-Backbone interact. energy: -0.849
local terms energy: -527.394461
where:
bonds (distance) C4'-P energy: -134.446
bonds (distance) P-C4' energy: -144.403
flat angles C4'-P-C4' energy: -112.467
flat angles P-C4'-P energy: -81.400
tors. eta vs tors. theta energy: -54.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1042.809260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.809260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.809260 (E_RNA)
where:
Base-Base interactions energy: -592.610
where: short stacking energy: -281.210
Base-Backbone interact. energy: 1.740
local terms energy: -451.939818
where:
bonds (distance) C4'-P energy: -114.149
bonds (distance) P-C4' energy: -125.950
flat angles C4'-P-C4' energy: -120.550
flat angles P-C4'-P energy: -71.339
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -697.636176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.636176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.636176 (E_RNA)
where:
Base-Base interactions energy: -342.828
where: short stacking energy: -189.892
Base-Backbone interact. energy: -0.148
local terms energy: -354.660442
where:
bonds (distance) C4'-P energy: -101.138
bonds (distance) P-C4' energy: -128.818
flat angles C4'-P-C4' energy: -79.950
flat angles P-C4'-P energy: -62.175
tors. eta vs tors. theta energy: 17.420
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2687.285613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.285613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.285613 (E_RNA)
where:
Base-Base interactions energy: -1874.911
where: short stacking energy: -804.473
Base-Backbone interact. energy: -1.310
local terms energy: -811.064709
where:
bonds (distance) C4'-P energy: -145.461
bonds (distance) P-C4' energy: -129.157
flat angles C4'-P-C4' energy: -175.883
flat angles P-C4'-P energy: -110.449
tors. eta vs tors. theta energy: -250.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -2596.533527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2596.533527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2596.533527 (E_RNA)
where:
Base-Base interactions energy: -1764.286
where: short stacking energy: -726.122
Base-Backbone interact. energy: -0.810
local terms energy: -831.436794
where:
bonds (distance) C4'-P energy: -156.480
bonds (distance) P-C4' energy: -146.059
flat angles C4'-P-C4' energy: -176.420
flat angles P-C4'-P energy: -112.296
tors. eta vs tors. theta energy: -240.182
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -2483.421642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.421642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.421642 (E_RNA)
where:
Base-Base interactions energy: -1700.719
where: short stacking energy: -681.162
Base-Backbone interact. energy: -2.938
local terms energy: -779.764261
where:
bonds (distance) C4'-P energy: -143.572
bonds (distance) P-C4' energy: -143.761
flat angles C4'-P-C4' energy: -165.842
flat angles P-C4'-P energy: -113.571
tors. eta vs tors. theta energy: -213.019
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: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -2277.579108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.579108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.579108 (E_RNA)
where:
Base-Base interactions energy: -1557.597
where: short stacking energy: -653.617
Base-Backbone interact. energy: -1.482
local terms energy: -718.500140
where:
bonds (distance) C4'-P energy: -132.082
bonds (distance) P-C4' energy: -149.006
flat angles C4'-P-C4' energy: -162.792
flat angles P-C4'-P energy: -86.533
tors. eta vs tors. theta energy: -188.087
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: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -2162.247283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2162.247283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2162.247283 (E_RNA)
where:
Base-Base interactions energy: -1458.966
where: short stacking energy: -624.219
Base-Backbone interact. energy: -0.558
local terms energy: -702.723422
where:
bonds (distance) C4'-P energy: -126.762
bonds (distance) P-C4' energy: -138.775
flat angles C4'-P-C4' energy: -153.688
flat angles P-C4'-P energy: -109.941
tors. eta vs tors. theta energy: -173.557
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: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -2012.972353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.972353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.972353 (E_RNA)
where:
Base-Base interactions energy: -1346.786
where: short stacking energy: -572.723
Base-Backbone interact. energy: -2.922
local terms energy: -663.263811
where:
bonds (distance) C4'-P energy: -129.930
bonds (distance) P-C4' energy: -123.189
flat angles C4'-P-C4' energy: -138.276
flat angles P-C4'-P energy: -96.730
tors. eta vs tors. theta energy: -175.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1638.125733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.125733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.125733 (E_RNA)
where:
Base-Base interactions energy: -1032.080
where: short stacking energy: -474.201
Base-Backbone interact. energy: -3.496
local terms energy: -602.550344
where:
bonds (distance) C4'-P energy: -123.170
bonds (distance) P-C4' energy: -134.177
flat angles C4'-P-C4' energy: -130.839
flat angles P-C4'-P energy: -88.386
tors. eta vs tors. theta energy: -125.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1325.189945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.189945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.189945 (E_RNA)
where:
Base-Base interactions energy: -811.220
where: short stacking energy: -349.360
Base-Backbone interact. energy: 2.214
local terms energy: -516.183743
where:
bonds (distance) C4'-P energy: -116.460
bonds (distance) P-C4' energy: -125.263
flat angles C4'-P-C4' energy: -113.719
flat angles P-C4'-P energy: -90.046
tors. eta vs tors. theta energy: -70.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1061.617003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.617003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.617003 (E_RNA)
where:
Base-Base interactions energy: -583.707
where: short stacking energy: -297.721
Base-Backbone interact. energy: 1.415
local terms energy: -479.325440
where:
bonds (distance) C4'-P energy: -134.322
bonds (distance) P-C4' energy: -121.121
flat angles C4'-P-C4' energy: -106.107
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -38.460
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: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -639.714314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.714314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.714314 (E_RNA)
where:
Base-Base interactions energy: -266.577
where: short stacking energy: -184.720
Base-Backbone interact. energy: 0.185
local terms energy: -373.321595
where:
bonds (distance) C4'-P energy: -99.462
bonds (distance) P-C4' energy: -123.415
flat angles C4'-P-C4' energy: -106.585
flat angles P-C4'-P energy: -65.328
tors. eta vs tors. theta energy: 21.469
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: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2713.993883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2713.993883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2713.993883 (E_RNA)
where:
Base-Base interactions energy: -1879.947
where: short stacking energy: -782.326
Base-Backbone interact. energy: -0.169
local terms energy: -833.878683
where:
bonds (distance) C4'-P energy: -162.684
bonds (distance) P-C4' energy: -144.422
flat angles C4'-P-C4' energy: -171.624
flat angles P-C4'-P energy: -105.875
tors. eta vs tors. theta energy: -249.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2585.109244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2585.109244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2585.109244 (E_RNA)
where:
Base-Base interactions energy: -1786.470
where: short stacking energy: -752.119
Base-Backbone interact. energy: -2.446
local terms energy: -796.192929
where:
bonds (distance) C4'-P energy: -146.222
bonds (distance) P-C4' energy: -137.556
flat angles C4'-P-C4' energy: -158.907
flat angles P-C4'-P energy: -114.308
tors. eta vs tors. theta energy: -239.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -2481.933517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2481.933517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2481.933517 (E_RNA)
where:
Base-Base interactions energy: -1702.811
where: short stacking energy: -686.233
Base-Backbone interact. energy: -2.590
local terms energy: -776.532165
where:
bonds (distance) C4'-P energy: -123.534
bonds (distance) P-C4' energy: -159.165
flat angles C4'-P-C4' energy: -165.299
flat angles P-C4'-P energy: -113.822
tors. eta vs tors. theta energy: -214.712
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -2276.344922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.344922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.344922 (E_RNA)
where:
Base-Base interactions energy: -1550.638
where: short stacking energy: -635.139
Base-Backbone interact. energy: -3.812
local terms energy: -721.895466
where:
bonds (distance) C4'-P energy: -127.843
bonds (distance) P-C4' energy: -121.763
flat angles C4'-P-C4' energy: -164.752
flat angles P-C4'-P energy: -110.538
tors. eta vs tors. theta energy: -196.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -2154.591414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2154.591414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2154.591414 (E_RNA)
where:
Base-Base interactions energy: -1441.177
where: short stacking energy: -602.701
Base-Backbone interact. energy: -1.558
local terms energy: -711.856702
where:
bonds (distance) C4'-P energy: -131.175
bonds (distance) P-C4' energy: -140.148
flat angles C4'-P-C4' energy: -156.569
flat angles P-C4'-P energy: -96.779
tors. eta vs tors. theta energy: -187.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -2017.488196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.488196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.488196 (E_RNA)
where:
Base-Base interactions energy: -1333.842
where: short stacking energy: -564.218
Base-Backbone interact. energy: -2.764
local terms energy: -680.882699
where:
bonds (distance) C4'-P energy: -141.696
bonds (distance) P-C4' energy: -124.017
flat angles C4'-P-C4' energy: -153.863
flat angles P-C4'-P energy: -92.482
tors. eta vs tors. theta energy: -168.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1666.103752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.103752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.103752 (E_RNA)
where:
Base-Base interactions energy: -1063.815
where: short stacking energy: -474.264
Base-Backbone interact. energy: -2.629
local terms energy: -599.659685
where:
bonds (distance) C4'-P energy: -128.973
bonds (distance) P-C4' energy: -136.610
flat angles C4'-P-C4' energy: -131.157
flat angles P-C4'-P energy: -99.582
tors. eta vs tors. theta energy: -103.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1390.494552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.494552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.494552 (E_RNA)
where:
Base-Base interactions energy: -885.214
where: short stacking energy: -415.145
Base-Backbone interact. energy: 0.915
local terms energy: -506.196304
where:
bonds (distance) C4'-P energy: -122.729
bonds (distance) P-C4' energy: -119.306
flat angles C4'-P-C4' energy: -124.753
flat angles P-C4'-P energy: -65.653
tors. eta vs tors. theta energy: -73.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1078.299188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.299188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.299188 (E_RNA)
where:
Base-Base interactions energy: -609.643
where: short stacking energy: -308.599
Base-Backbone interact. energy: 6.738
local terms energy: -475.394172
where:
bonds (distance) C4'-P energy: -106.562
bonds (distance) P-C4' energy: -140.272
flat angles C4'-P-C4' energy: -127.946
flat angles P-C4'-P energy: -70.621
tors. eta vs tors. theta energy: -29.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -647.700067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.700067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.700067 (E_RNA)
where:
Base-Base interactions energy: -269.951
where: short stacking energy: -173.471
Base-Backbone interact. energy: -3.868
local terms energy: -373.880867
where:
bonds (distance) C4'-P energy: -119.708
bonds (distance) P-C4' energy: -128.698
flat angles C4'-P-C4' energy: -102.134
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: 23.320
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: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2684.008224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2684.008224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2684.008224 (E_RNA)
where:
Base-Base interactions energy: -1853.848
where: short stacking energy: -757.222
Base-Backbone interact. energy: -4.447
local terms energy: -825.713955
where:
bonds (distance) C4'-P energy: -147.108
bonds (distance) P-C4' energy: -151.657
flat angles C4'-P-C4' energy: -167.881
flat angles P-C4'-P energy: -122.705
tors. eta vs tors. theta energy: -236.364
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: 5
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -2583.541527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2583.541527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2583.541527 (E_RNA)
where:
Base-Base interactions energy: -1766.207
where: short stacking energy: -764.377
Base-Backbone interact. energy: -2.548
local terms energy: -814.786285
where:
bonds (distance) C4'-P energy: -137.090
bonds (distance) P-C4' energy: -154.081
flat angles C4'-P-C4' energy: -165.856
flat angles P-C4'-P energy: -122.843
tors. eta vs tors. theta energy: -234.916
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: 416
Temperature: 1.000000
Total energy: -2478.792417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.792417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.792417 (E_RNA)
where:
Base-Base interactions energy: -1724.246
where: short stacking energy: -710.930
Base-Backbone interact. energy: 2.234
local terms energy: -756.780338
where:
bonds (distance) C4'-P energy: -148.770
bonds (distance) P-C4' energy: -125.028
flat angles C4'-P-C4' energy: -156.600
flat angles P-C4'-P energy: -109.694
tors. eta vs tors. theta energy: -216.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -2230.369230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2230.369230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2230.369230 (E_RNA)
where:
Base-Base interactions energy: -1538.438
where: short stacking energy: -626.157
Base-Backbone interact. energy: 0.434
local terms energy: -692.365623
where:
bonds (distance) C4'-P energy: -110.832
bonds (distance) P-C4' energy: -133.876
flat angles C4'-P-C4' energy: -168.396
flat angles P-C4'-P energy: -96.294
tors. eta vs tors. theta energy: -182.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -2250.194579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2250.194579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2250.194579 (E_RNA)
where:
Base-Base interactions energy: -1528.234
where: short stacking energy: -670.267
Base-Backbone interact. energy: 7.610
local terms energy: -729.569985
where:
bonds (distance) C4'-P energy: -150.691
bonds (distance) P-C4' energy: -139.651
flat angles C4'-P-C4' energy: -156.754
flat angles P-C4'-P energy: -87.015
tors. eta vs tors. theta energy: -195.459
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: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -2034.335422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.335422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.335422 (E_RNA)
where:
Base-Base interactions energy: -1354.566
where: short stacking energy: -570.952
Base-Backbone interact. energy: -1.302
local terms energy: -678.467549
where:
bonds (distance) C4'-P energy: -131.558
bonds (distance) P-C4' energy: -130.296
flat angles C4'-P-C4' energy: -144.553
flat angles P-C4'-P energy: -111.397
tors. eta vs tors. theta energy: -160.664
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: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1630.651287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.651287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.651287 (E_RNA)
where:
Base-Base interactions energy: -1036.101
where: short stacking energy: -480.321
Base-Backbone interact. energy: -2.791
local terms energy: -591.758881
where:
bonds (distance) C4'-P energy: -101.215
bonds (distance) P-C4' energy: -128.185
flat angles C4'-P-C4' energy: -137.405
flat angles P-C4'-P energy: -93.706
tors. eta vs tors. theta energy: -131.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1357.757293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.757293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.757293 (E_RNA)
where:
Base-Base interactions energy: -835.963
where: short stacking energy: -368.960
Base-Backbone interact. energy: -0.802
local terms energy: -520.992535
where:
bonds (distance) C4'-P energy: -128.153
bonds (distance) P-C4' energy: -123.437
flat angles C4'-P-C4' energy: -115.946
flat angles P-C4'-P energy: -77.339
tors. eta vs tors. theta energy: -76.119
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: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1051.793285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.793285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.793285 (E_RNA)
where:
Base-Base interactions energy: -612.788
where: short stacking energy: -275.856
Base-Backbone interact. energy: 4.959
local terms energy: -443.964925
where:
bonds (distance) C4'-P energy: -118.543
bonds (distance) P-C4' energy: -126.783
flat angles C4'-P-C4' energy: -130.066
flat angles P-C4'-P energy: -52.951
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -642.336654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.336654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.336654 (E_RNA)
where:
Base-Base interactions energy: -280.212
where: short stacking energy: -204.000
Base-Backbone interact. energy: 4.876
local terms energy: -367.000633
where:
bonds (distance) C4'-P energy: -105.873
bonds (distance) P-C4' energy: -115.256
flat angles C4'-P-C4' energy: -93.815
flat angles P-C4'-P energy: -74.888
tors. eta vs tors. theta energy: 22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2690.094736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.094736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.094736 (E_RNA)
where:
Base-Base interactions energy: -1873.987
where: short stacking energy: -781.593
Base-Backbone interact. energy: -6.776
local terms energy: -809.330967
where:
bonds (distance) C4'-P energy: -143.598
bonds (distance) P-C4' energy: -152.970
flat angles C4'-P-C4' energy: -169.904
flat angles P-C4'-P energy: -114.740
tors. eta vs tors. theta energy: -228.120
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: 417
Temperature: 0.950000
Total energy: -2602.827442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.827442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.827442 (E_RNA)
where:
Base-Base interactions energy: -1798.470
where: short stacking energy: -739.773
Base-Backbone interact. energy: -2.005
local terms energy: -802.353010
where:
bonds (distance) C4'-P energy: -141.081
bonds (distance) P-C4' energy: -154.847
flat angles C4'-P-C4' energy: -165.258
flat angles P-C4'-P energy: -100.787
tors. eta vs tors. theta energy: -240.380
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: 417
Temperature: 1.000000
Total energy: -2478.342126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2478.342126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2478.342126 (E_RNA)
where:
Base-Base interactions energy: -1692.111
where: short stacking energy: -681.280
Base-Backbone interact. energy: -0.816
local terms energy: -785.414459
where:
bonds (distance) C4'-P energy: -143.312
bonds (distance) P-C4' energy: -152.115
flat angles C4'-P-C4' energy: -168.389
flat angles P-C4'-P energy: -112.719
tors. eta vs tors. theta energy: -208.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -2241.844562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2241.844562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2241.844562 (E_RNA)
where:
Base-Base interactions energy: -1535.206
where: short stacking energy: -630.674
Base-Backbone interact. energy: -2.168
local terms energy: -704.470364
where:
bonds (distance) C4'-P energy: -123.233
bonds (distance) P-C4' energy: -143.421
flat angles C4'-P-C4' energy: -152.313
flat angles P-C4'-P energy: -105.535
tors. eta vs tors. theta energy: -179.968
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: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -2227.433252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2227.433252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2227.433252 (E_RNA)
where:
Base-Base interactions energy: -1546.168
where: short stacking energy: -626.184
Base-Backbone interact. energy: 3.782
local terms energy: -685.047378
where:
bonds (distance) C4'-P energy: -127.011
bonds (distance) P-C4' energy: -137.475
flat angles C4'-P-C4' energy: -141.047
flat angles P-C4'-P energy: -90.641
tors. eta vs tors. theta energy: -188.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1975.758302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.758302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.758302 (E_RNA)
where:
Base-Base interactions energy: -1347.785
where: short stacking energy: -576.884
Base-Backbone interact. energy: 5.079
local terms energy: -633.052578
where:
bonds (distance) C4'-P energy: -127.161
bonds (distance) P-C4' energy: -136.166
flat angles C4'-P-C4' energy: -128.869
flat angles P-C4'-P energy: -107.544
tors. eta vs tors. theta energy: -133.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1585.580182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.580182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.580182 (E_RNA)
where:
Base-Base interactions energy: -992.313
where: short stacking energy: -441.770
Base-Backbone interact. energy: -4.827
local terms energy: -588.440295
where:
bonds (distance) C4'-P energy: -129.801
bonds (distance) P-C4' energy: -137.990
flat angles C4'-P-C4' energy: -108.555
flat angles P-C4'-P energy: -103.150
tors. eta vs tors. theta energy: -108.945
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: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1283.742614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.742614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.742614 (E_RNA)
where:
Base-Base interactions energy: -763.210
where: short stacking energy: -337.700
Base-Backbone interact. energy: 1.298
local terms energy: -521.830288
where:
bonds (distance) C4'-P energy: -136.637
bonds (distance) P-C4' energy: -141.200
flat angles C4'-P-C4' energy: -121.793
flat angles P-C4'-P energy: -65.933
tors. eta vs tors. theta energy: -56.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1028.034349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.034349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.034349 (E_RNA)
where:
Base-Base interactions energy: -569.215
where: short stacking energy: -261.136
Base-Backbone interact. energy: -1.086
local terms energy: -457.733912
where:
bonds (distance) C4'-P energy: -113.718
bonds (distance) P-C4' energy: -128.650
flat angles C4'-P-C4' energy: -112.549
flat angles P-C4'-P energy: -76.314
tors. eta vs tors. theta energy: -26.502
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: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -681.676442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.676442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.676442 (E_RNA)
where:
Base-Base interactions energy: -293.723
where: short stacking energy: -205.591
Base-Backbone interact. energy: 4.409
local terms energy: -392.362316
where:
bonds (distance) C4'-P energy: -120.479
bonds (distance) P-C4' energy: -127.039
flat angles C4'-P-C4' energy: -83.534
flat angles P-C4'-P energy: -82.593
tors. eta vs tors. theta energy: 21.282
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: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -2714.912784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2714.912784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2714.912784 (E_RNA)
where:
Base-Base interactions energy: -1896.668
where: short stacking energy: -779.640
Base-Backbone interact. energy: -1.618
local terms energy: -816.627256
where:
bonds (distance) C4'-P energy: -150.587
bonds (distance) P-C4' energy: -150.218
flat angles C4'-P-C4' energy: -172.770
flat angles P-C4'-P energy: -115.142
tors. eta vs tors. theta energy: -227.910
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: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2601.674680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2601.674680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2601.674680 (E_RNA)
where:
Base-Base interactions energy: -1794.370
where: short stacking energy: -764.327
Base-Backbone interact. energy: -2.394
local terms energy: -804.910969
where:
bonds (distance) C4'-P energy: -139.377
bonds (distance) P-C4' energy: -151.266
flat angles C4'-P-C4' energy: -176.257
flat angles P-C4'-P energy: -102.397
tors. eta vs tors. theta energy: -235.614
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: 418
Temperature: 1.000000
Total energy: -2544.238396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2544.238396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2544.238396 (E_RNA)
where:
Base-Base interactions energy: -1770.740
where: short stacking energy: -710.207
Base-Backbone interact. energy: -2.482
local terms energy: -771.015694
where:
bonds (distance) C4'-P energy: -131.264
bonds (distance) P-C4' energy: -151.670
flat angles C4'-P-C4' energy: -165.072
flat angles P-C4'-P energy: -115.384
tors. eta vs tors. theta energy: -207.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -2298.179151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.179151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.179151 (E_RNA)
where:
Base-Base interactions energy: -1545.012
where: short stacking energy: -603.997
Base-Backbone interact. energy: -0.877
local terms energy: -752.289777
where:
bonds (distance) C4'-P energy: -143.700
bonds (distance) P-C4' energy: -140.226
flat angles C4'-P-C4' energy: -159.988
flat angles P-C4'-P energy: -111.775
tors. eta vs tors. theta energy: -196.601
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -2244.900843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.900843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.900843 (E_RNA)
where:
Base-Base interactions energy: -1536.493
where: short stacking energy: -653.409
Base-Backbone interact. energy: 0.059
local terms energy: -708.466140
where:
bonds (distance) C4'-P energy: -124.013
bonds (distance) P-C4' energy: -128.788
flat angles C4'-P-C4' energy: -161.322
flat angles P-C4'-P energy: -103.224
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: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -2005.132589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.132589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.132589 (E_RNA)
where:
Base-Base interactions energy: -1333.695
where: short stacking energy: -577.680
Base-Backbone interact. energy: -1.821
local terms energy: -669.616953
where:
bonds (distance) C4'-P energy: -127.731
bonds (distance) P-C4' energy: -122.613
flat angles C4'-P-C4' energy: -142.177
flat angles P-C4'-P energy: -106.719
tors. eta vs tors. theta energy: -170.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1549.959203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.959203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.959203 (E_RNA)
where:
Base-Base interactions energy: -972.726
where: short stacking energy: -432.158
Base-Backbone interact. energy: -1.722
local terms energy: -575.511492
where:
bonds (distance) C4'-P energy: -119.225
bonds (distance) P-C4' energy: -134.496
flat angles C4'-P-C4' energy: -135.979
flat angles P-C4'-P energy: -96.495
tors. eta vs tors. theta energy: -89.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1243.150470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.150470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.150470 (E_RNA)
where:
Base-Base interactions energy: -714.306
where: short stacking energy: -335.716
Base-Backbone interact. energy: -2.980
local terms energy: -525.864147
where:
bonds (distance) C4'-P energy: -125.059
bonds (distance) P-C4' energy: -126.890
flat angles C4'-P-C4' energy: -130.769
flat angles P-C4'-P energy: -79.495
tors. eta vs tors. theta energy: -63.651
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: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1041.754410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.754410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.754410 (E_RNA)
where:
Base-Base interactions energy: -602.697
where: short stacking energy: -310.776
Base-Backbone interact. energy: -1.427
local terms energy: -437.630426
where:
bonds (distance) C4'-P energy: -98.636
bonds (distance) P-C4' energy: -122.313
flat angles C4'-P-C4' energy: -112.876
flat angles P-C4'-P energy: -71.354
tors. eta vs tors. theta energy: -32.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -660.858074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.858074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.858074 (E_RNA)
where:
Base-Base interactions energy: -274.550
where: short stacking energy: -156.988
Base-Backbone interact. energy: -0.008
local terms energy: -386.299149
where:
bonds (distance) C4'-P energy: -112.508
bonds (distance) P-C4' energy: -118.076
flat angles C4'-P-C4' energy: -97.136
flat angles P-C4'-P energy: -90.395
tors. eta vs tors. theta energy: 31.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2743.352253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2743.352253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2743.352253 (E_RNA)
where:
Base-Base interactions energy: -1894.850
where: short stacking energy: -778.442
Base-Backbone interact. energy: -1.353
local terms energy: -847.148691
where:
bonds (distance) C4'-P energy: -154.372
bonds (distance) P-C4' energy: -150.064
flat angles C4'-P-C4' energy: -179.608
flat angles P-C4'-P energy: -122.408
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: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2603.352496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.352496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.352496 (E_RNA)
where:
Base-Base interactions energy: -1783.517
where: short stacking energy: -764.959
Base-Backbone interact. energy: -0.574
local terms energy: -819.261744
where:
bonds (distance) C4'-P energy: -148.953
bonds (distance) P-C4' energy: -152.968
flat angles C4'-P-C4' energy: -168.735
flat angles P-C4'-P energy: -110.984
tors. eta vs tors. theta energy: -237.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -2549.163205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2549.163205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2549.163205 (E_RNA)
where:
Base-Base interactions energy: -1758.754
where: short stacking energy: -698.483
Base-Backbone interact. energy: -0.043
local terms energy: -790.367028
where:
bonds (distance) C4'-P energy: -150.738
bonds (distance) P-C4' energy: -136.453
flat angles C4'-P-C4' energy: -175.039
flat angles P-C4'-P energy: -111.655
tors. eta vs tors. theta energy: -216.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -2296.729541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2296.729541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2296.729541 (E_RNA)
where:
Base-Base interactions energy: -1578.835
where: short stacking energy: -669.446
Base-Backbone interact. energy: -4.877
local terms energy: -713.018250
where:
bonds (distance) C4'-P energy: -136.743
bonds (distance) P-C4' energy: -134.253
flat angles C4'-P-C4' energy: -146.247
flat angles P-C4'-P energy: -98.734
tors. eta vs tors. theta energy: -197.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -2236.662524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2236.662524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2236.662524 (E_RNA)
where:
Base-Base interactions energy: -1538.520
where: short stacking energy: -608.441
Base-Backbone interact. energy: -2.188
local terms energy: -695.954003
where:
bonds (distance) C4'-P energy: -130.277
bonds (distance) P-C4' energy: -130.856
flat angles C4'-P-C4' energy: -153.915
flat angles P-C4'-P energy: -106.601
tors. eta vs tors. theta energy: -174.304
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: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1986.774282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.774282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.774282 (E_RNA)
where:
Base-Base interactions energy: -1336.796
where: short stacking energy: -563.016
Base-Backbone interact. energy: 1.995
local terms energy: -651.973077
where:
bonds (distance) C4'-P energy: -132.242
bonds (distance) P-C4' energy: -136.104
flat angles C4'-P-C4' energy: -141.913
flat angles P-C4'-P energy: -88.989
tors. eta vs tors. theta energy: -152.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1636.628954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.628954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.628954 (E_RNA)
where:
Base-Base interactions energy: -1023.722
where: short stacking energy: -448.001
Base-Backbone interact. energy: -1.781
local terms energy: -611.126394
where:
bonds (distance) C4'-P energy: -128.588
bonds (distance) P-C4' energy: -138.219
flat angles C4'-P-C4' energy: -143.414
flat angles P-C4'-P energy: -92.164
tors. eta vs tors. theta energy: -108.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1202.339177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.339177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.339177 (E_RNA)
where:
Base-Base interactions energy: -696.232
where: short stacking energy: -326.223
Base-Backbone interact. energy: -4.286
local terms energy: -501.821361
where:
bonds (distance) C4'-P energy: -136.267
bonds (distance) P-C4' energy: -121.095
flat angles C4'-P-C4' energy: -138.763
flat angles P-C4'-P energy: -63.674
tors. eta vs tors. theta energy: -42.022
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: 7
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1069.760442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.760442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.760442 (E_RNA)
where:
Base-Base interactions energy: -635.519
where: short stacking energy: -320.594
Base-Backbone interact. energy: -2.782
local terms energy: -431.459309
where:
bonds (distance) C4'-P energy: -112.465
bonds (distance) P-C4' energy: -106.724
flat angles C4'-P-C4' energy: -105.512
flat angles P-C4'-P energy: -71.708
tors. eta vs tors. theta energy: -35.051
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: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -667.399997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.399997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.399997 (E_RNA)
where:
Base-Base interactions energy: -297.597
where: short stacking energy: -175.075
Base-Backbone interact. energy: 3.949
local terms energy: -373.751836
where:
bonds (distance) C4'-P energy: -117.006
bonds (distance) P-C4' energy: -119.459
flat angles C4'-P-C4' energy: -107.903
flat angles P-C4'-P energy: -43.227
tors. eta vs tors. theta energy: 13.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2693.333370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2693.333370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2693.333370 (E_RNA)
where:
Base-Base interactions energy: -1872.526
where: short stacking energy: -781.224
Base-Backbone interact. energy: -4.469
local terms energy: -816.338745
where:
bonds (distance) C4'-P energy: -160.942
bonds (distance) P-C4' energy: -150.135
flat angles C4'-P-C4' energy: -164.763
flat angles P-C4'-P energy: -97.504
tors. eta vs tors. theta energy: -242.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2581.146602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.146602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.146602 (E_RNA)
where:
Base-Base interactions energy: -1779.677
where: short stacking energy: -745.286
Base-Backbone interact. energy: -1.400
local terms energy: -800.068876
where:
bonds (distance) C4'-P energy: -137.229
bonds (distance) P-C4' energy: -144.257
flat angles C4'-P-C4' energy: -171.838
flat angles P-C4'-P energy: -108.726
tors. eta vs tors. theta energy: -238.019
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: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -2480.407946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2480.407946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2480.407946 (E_RNA)
where:
Base-Base interactions energy: -1737.091
where: short stacking energy: -687.816
Base-Backbone interact. energy: -1.124
local terms energy: -742.192763
where:
bonds (distance) C4'-P energy: -144.504
bonds (distance) P-C4' energy: -133.369
flat angles C4'-P-C4' energy: -162.326
flat angles P-C4'-P energy: -108.823
tors. eta vs tors. theta energy: -193.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -2332.306253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.306253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.306253 (E_RNA)
where:
Base-Base interactions energy: -1612.063
where: short stacking energy: -674.357
Base-Backbone interact. energy: 3.536
local terms energy: -723.779119
where:
bonds (distance) C4'-P energy: -151.520
bonds (distance) P-C4' energy: -128.109
flat angles C4'-P-C4' energy: -156.421
flat angles P-C4'-P energy: -91.999
tors. eta vs tors. theta energy: -195.731
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: 3
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -2283.269491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.269491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.269491 (E_RNA)
where:
Base-Base interactions energy: -1566.825
where: short stacking energy: -631.802
Base-Backbone interact. energy: -4.711
local terms energy: -711.733770
where:
bonds (distance) C4'-P energy: -125.615
bonds (distance) P-C4' energy: -137.079
flat angles C4'-P-C4' energy: -168.707
flat angles P-C4'-P energy: -88.902
tors. eta vs tors. theta energy: -191.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1973.143221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.143221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.143221 (E_RNA)
where:
Base-Base interactions energy: -1342.932
where: short stacking energy: -555.456
Base-Backbone interact. energy: -1.044
local terms energy: -629.166830
where:
bonds (distance) C4'-P energy: -139.170
bonds (distance) P-C4' energy: -120.821
flat angles C4'-P-C4' energy: -134.027
flat angles P-C4'-P energy: -77.684
tors. eta vs tors. theta energy: -157.464
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1612.768133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.768133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.768133 (E_RNA)
where:
Base-Base interactions energy: -1015.530
where: short stacking energy: -445.367
Base-Backbone interact. energy: 4.983
local terms energy: -602.221263
where:
bonds (distance) C4'-P energy: -133.944
bonds (distance) P-C4' energy: -132.415
flat angles C4'-P-C4' energy: -138.357
flat angles P-C4'-P energy: -78.845
tors. eta vs tors. theta energy: -118.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1260.696395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.696395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.696395 (E_RNA)
where:
Base-Base interactions energy: -734.681
where: short stacking energy: -329.659
Base-Backbone interact. energy: -1.923
local terms energy: -524.091578
where:
bonds (distance) C4'-P energy: -103.390
bonds (distance) P-C4' energy: -137.021
flat angles C4'-P-C4' energy: -141.445
flat angles P-C4'-P energy: -89.023
tors. eta vs tors. theta energy: -53.213
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: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1126.653865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.653865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.653865 (E_RNA)
where:
Base-Base interactions energy: -634.310
where: short stacking energy: -309.321
Base-Backbone interact. energy: 2.281
local terms energy: -494.624795
where:
bonds (distance) C4'-P energy: -120.709
bonds (distance) P-C4' energy: -145.412
flat angles C4'-P-C4' energy: -132.168
flat angles P-C4'-P energy: -56.486
tors. eta vs tors. theta energy: -39.849
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: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -610.964220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.964220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.964220 (E_RNA)
where:
Base-Base interactions energy: -226.492
where: short stacking energy: -143.992
Base-Backbone interact. energy: 4.815
local terms energy: -389.287613
where:
bonds (distance) C4'-P energy: -112.385
bonds (distance) P-C4' energy: -124.279
flat angles C4'-P-C4' energy: -109.775
flat angles P-C4'-P energy: -75.646
tors. eta vs tors. theta energy: 32.797
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: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2689.650178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2689.650178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2689.650178 (E_RNA)
where:
Base-Base interactions energy: -1871.814
where: short stacking energy: -759.356
Base-Backbone interact. energy: -2.415
local terms energy: -815.421071
where:
bonds (distance) C4'-P energy: -144.302
bonds (distance) P-C4' energy: -147.037
flat angles C4'-P-C4' energy: -166.359
flat angles P-C4'-P energy: -113.793
tors. eta vs tors. theta energy: -243.929
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: 2, replica: 9
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -2576.911610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.911610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.911610 (E_RNA)
where:
Base-Base interactions energy: -1774.305
where: short stacking energy: -736.574
Base-Backbone interact. energy: 0.427
local terms energy: -803.033569
where:
bonds (distance) C4'-P energy: -138.324
bonds (distance) P-C4' energy: -155.324
flat angles C4'-P-C4' energy: -170.449
flat angles P-C4'-P energy: -119.225
tors. eta vs tors. theta energy: -219.712
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: 3, replica: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -2553.834395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.834395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.834395 (E_RNA)
where:
Base-Base interactions energy: -1743.862
where: short stacking energy: -744.540
Base-Backbone interact. energy: -0.576
local terms energy: -809.396340
where:
bonds (distance) C4'-P energy: -157.810
bonds (distance) P-C4' energy: -140.570
flat angles C4'-P-C4' energy: -169.851
flat angles P-C4'-P energy: -109.387
tors. eta vs tors. theta energy: -231.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -2278.981332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.981332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.981332 (E_RNA)
where:
Base-Base interactions energy: -1574.643
where: short stacking energy: -651.753
Base-Backbone interact. energy: 3.380
local terms energy: -707.718252
where:
bonds (distance) C4'-P energy: -137.232
bonds (distance) P-C4' energy: -122.607
flat angles C4'-P-C4' energy: -166.611
flat angles P-C4'-P energy: -96.654
tors. eta vs tors. theta energy: -184.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -2278.536567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2278.536567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2278.536567 (E_RNA)
where:
Base-Base interactions energy: -1574.488
where: short stacking energy: -647.114
Base-Backbone interact. energy: -1.861
local terms energy: -702.187219
where:
bonds (distance) C4'-P energy: -124.911
bonds (distance) P-C4' energy: -123.519
flat angles C4'-P-C4' energy: -150.046
flat angles P-C4'-P energy: -108.422
tors. eta vs tors. theta energy: -195.290
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: 421
Temperature: 1.150000
Total energy: -2047.318043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.318043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.318043 (E_RNA)
where:
Base-Base interactions energy: -1350.835
where: short stacking energy: -586.763
Base-Backbone interact. energy: 3.279
local terms energy: -699.761870
where:
bonds (distance) C4'-P energy: -118.981
bonds (distance) P-C4' energy: -148.270
flat angles C4'-P-C4' energy: -164.494
flat angles P-C4'-P energy: -95.072
tors. eta vs tors. theta energy: -172.945
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: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1586.509192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.509192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.509192 (E_RNA)
where:
Base-Base interactions energy: -1007.116
where: short stacking energy: -492.408
Base-Backbone interact. energy: 3.977
local terms energy: -583.370772
where:
bonds (distance) C4'-P energy: -129.082
bonds (distance) P-C4' energy: -124.178
flat angles C4'-P-C4' energy: -136.855
flat angles P-C4'-P energy: -67.233
tors. eta vs tors. theta energy: -126.023
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: 421
Temperature: 1.250000
Total energy: -1296.184405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.184405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.184405 (E_RNA)
where:
Base-Base interactions energy: -804.980
where: short stacking energy: -394.137
Base-Backbone interact. energy: -0.043
local terms energy: -491.161610
where:
bonds (distance) C4'-P energy: -121.549
bonds (distance) P-C4' energy: -115.021
flat angles C4'-P-C4' energy: -113.516
flat angles P-C4'-P energy: -64.710
tors. eta vs tors. theta energy: -76.366
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: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1101.972449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.972449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.972449 (E_RNA)
where:
Base-Base interactions energy: -658.888
where: short stacking energy: -320.644
Base-Backbone interact. energy: 6.652
local terms energy: -449.736020
where:
bonds (distance) C4'-P energy: -115.530
bonds (distance) P-C4' energy: -112.460
flat angles C4'-P-C4' energy: -125.406
flat angles P-C4'-P energy: -70.708
tors. eta vs tors. theta energy: -25.633
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: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -618.896502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.896502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.896502 (E_RNA)
where:
Base-Base interactions energy: -264.236
where: short stacking energy: -167.166
Base-Backbone interact. energy: 0.970
local terms energy: -355.629783
where:
bonds (distance) C4'-P energy: -123.298
bonds (distance) P-C4' energy: -113.813
flat angles C4'-P-C4' energy: -99.052
flat angles P-C4'-P energy: -51.652
tors. eta vs tors. theta energy: 32.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2707.460037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.460037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.460037 (E_RNA)
where:
Base-Base interactions energy: -1875.176
where: short stacking energy: -783.530
Base-Backbone interact. energy: -3.659
local terms energy: -828.625373
where:
bonds (distance) C4'-P energy: -147.497
bonds (distance) P-C4' energy: -150.357
flat angles C4'-P-C4' energy: -173.383
flat angles P-C4'-P energy: -119.842
tors. eta vs tors. theta energy: -237.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2546.912044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2546.912044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2546.912044 (E_RNA)
where:
Base-Base interactions energy: -1746.918
where: short stacking energy: -724.818
Base-Backbone interact. energy: -4.757
local terms energy: -795.237113
where:
bonds (distance) C4'-P energy: -145.578
bonds (distance) P-C4' energy: -149.326
flat angles C4'-P-C4' energy: -176.500
flat angles P-C4'-P energy: -106.740
tors. eta vs tors. theta energy: -217.093
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: 422
Temperature: 1.000000
Total energy: -2535.950242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.950242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.950242 (E_RNA)
where:
Base-Base interactions energy: -1718.138
where: short stacking energy: -729.075
Base-Backbone interact. energy: -4.290
local terms energy: -813.521866
where:
bonds (distance) C4'-P energy: -146.156
bonds (distance) P-C4' energy: -146.772
flat angles C4'-P-C4' energy: -169.752
flat angles P-C4'-P energy: -115.614
tors. eta vs tors. theta energy: -235.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -2280.100038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2280.100038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2280.100038 (E_RNA)
where:
Base-Base interactions energy: -1584.598
where: short stacking energy: -650.731
Base-Backbone interact. energy: -2.532
local terms energy: -692.969577
where:
bonds (distance) C4'-P energy: -121.241
bonds (distance) P-C4' energy: -121.488
flat angles C4'-P-C4' energy: -165.068
flat angles P-C4'-P energy: -97.697
tors. eta vs tors. theta energy: -187.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -2270.895816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.895816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.895816 (E_RNA)
where:
Base-Base interactions energy: -1534.684
where: short stacking energy: -624.429
Base-Backbone interact. energy: -4.430
local terms energy: -731.782422
where:
bonds (distance) C4'-P energy: -127.852
bonds (distance) P-C4' energy: -149.474
flat angles C4'-P-C4' energy: -155.899
flat angles P-C4'-P energy: -98.001
tors. eta vs tors. theta energy: -200.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1964.176393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.176393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.176393 (E_RNA)
where:
Base-Base interactions energy: -1301.402
where: short stacking energy: -550.119
Base-Backbone interact. energy: -0.851
local terms energy: -661.923204
where:
bonds (distance) C4'-P energy: -140.605
bonds (distance) P-C4' energy: -137.564
flat angles C4'-P-C4' energy: -135.786
flat angles P-C4'-P energy: -98.220
tors. eta vs tors. theta energy: -149.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1600.370346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.370346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.370346 (E_RNA)
where:
Base-Base interactions energy: -997.275
where: short stacking energy: -474.841
Base-Backbone interact. energy: -3.374
local terms energy: -599.721401
where:
bonds (distance) C4'-P energy: -127.855
bonds (distance) P-C4' energy: -140.398
flat angles C4'-P-C4' energy: -136.583
flat angles P-C4'-P energy: -83.371
tors. eta vs tors. theta energy: -111.515
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: 4
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1302.820240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.820240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.820240 (E_RNA)
where:
Base-Base interactions energy: -805.236
where: short stacking energy: -370.333
Base-Backbone interact. energy: 0.797
local terms energy: -498.380831
where:
bonds (distance) C4'-P energy: -116.524
bonds (distance) P-C4' energy: -122.605
flat angles C4'-P-C4' energy: -121.774
flat angles P-C4'-P energy: -72.664
tors. eta vs tors. theta energy: -64.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1041.174278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.174278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.174278 (E_RNA)
where:
Base-Base interactions energy: -564.655
where: short stacking energy: -295.958
Base-Backbone interact. energy: 2.320
local terms energy: -478.838654
where:
bonds (distance) C4'-P energy: -123.064
bonds (distance) P-C4' energy: -135.577
flat angles C4'-P-C4' energy: -116.601
flat angles P-C4'-P energy: -60.260
tors. eta vs tors. theta energy: -43.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -622.054543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.054543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.054543 (E_RNA)
where:
Base-Base interactions energy: -254.852
where: short stacking energy: -177.684
Base-Backbone interact. energy: 0.521
local terms energy: -367.723366
where:
bonds (distance) C4'-P energy: -95.073
bonds (distance) P-C4' energy: -118.832
flat angles C4'-P-C4' energy: -103.146
flat angles P-C4'-P energy: -74.059
tors. eta vs tors. theta energy: 23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2702.615174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2702.615174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2702.615174 (E_RNA)
where:
Base-Base interactions energy: -1883.868
where: short stacking energy: -797.235
Base-Backbone interact. energy: -1.994
local terms energy: -816.753223
where:
bonds (distance) C4'-P energy: -137.692
bonds (distance) P-C4' energy: -147.624
flat angles C4'-P-C4' energy: -176.002
flat angles P-C4'-P energy: -119.216
tors. eta vs tors. theta energy: -236.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2555.150470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.150470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.150470 (E_RNA)
where:
Base-Base interactions energy: -1746.659
where: short stacking energy: -713.840
Base-Backbone interact. energy: 0.799
local terms energy: -809.290352
where:
bonds (distance) C4'-P energy: -159.174
bonds (distance) P-C4' energy: -144.425
flat angles C4'-P-C4' energy: -168.822
flat angles P-C4'-P energy: -115.272
tors. eta vs tors. theta energy: -221.599
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: 423
Temperature: 1.000000
Total energy: -2556.128486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2556.128486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2556.128486 (E_RNA)
where:
Base-Base interactions energy: -1758.915
where: short stacking energy: -771.489
Base-Backbone interact. energy: -2.107
local terms energy: -795.105912
where:
bonds (distance) C4'-P energy: -140.458
bonds (distance) P-C4' energy: -129.695
flat angles C4'-P-C4' energy: -164.238
flat angles P-C4'-P energy: -116.949
tors. eta vs tors. theta energy: -243.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -2290.319729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2290.319729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2290.319729 (E_RNA)
where:
Base-Base interactions energy: -1575.671
where: short stacking energy: -663.110
Base-Backbone interact. energy: -5.064
local terms energy: -709.585476
where:
bonds (distance) C4'-P energy: -147.260
bonds (distance) P-C4' energy: -134.557
flat angles C4'-P-C4' energy: -146.900
flat angles P-C4'-P energy: -103.175
tors. eta vs tors. theta energy: -177.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -2217.128968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2217.128968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2217.128968 (E_RNA)
where:
Base-Base interactions energy: -1513.879
where: short stacking energy: -621.550
Base-Backbone interact. energy: -1.228
local terms energy: -702.021504
where:
bonds (distance) C4'-P energy: -143.760
bonds (distance) P-C4' energy: -131.767
flat angles C4'-P-C4' energy: -139.012
flat angles P-C4'-P energy: -104.003
tors. eta vs tors. theta energy: -183.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1959.223329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.223329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.223329 (E_RNA)
where:
Base-Base interactions energy: -1307.862
where: short stacking energy: -560.318
Base-Backbone interact. energy: -0.854
local terms energy: -650.507834
where:
bonds (distance) C4'-P energy: -149.303
bonds (distance) P-C4' energy: -127.050
flat angles C4'-P-C4' energy: -149.868
flat angles P-C4'-P energy: -72.762
tors. eta vs tors. theta energy: -151.526
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: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1565.409047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.409047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.409047 (E_RNA)
where:
Base-Base interactions energy: -1026.045
where: short stacking energy: -469.949
Base-Backbone interact. energy: 3.480
local terms energy: -542.844125
where:
bonds (distance) C4'-P energy: -110.943
bonds (distance) P-C4' energy: -122.644
flat angles C4'-P-C4' energy: -132.046
flat angles P-C4'-P energy: -58.901
tors. eta vs tors. theta energy: -118.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1310.016790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.016790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.016790 (E_RNA)
where:
Base-Base interactions energy: -785.719
where: short stacking energy: -381.386
Base-Backbone interact. energy: -5.582
local terms energy: -518.715637
where:
bonds (distance) C4'-P energy: -110.509
bonds (distance) P-C4' energy: -124.811
flat angles C4'-P-C4' energy: -131.404
flat angles P-C4'-P energy: -85.031
tors. eta vs tors. theta energy: -66.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1119.531961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.531961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.531961 (E_RNA)
where:
Base-Base interactions energy: -648.651
where: short stacking energy: -321.947
Base-Backbone interact. energy: 2.221
local terms energy: -473.102284
where:
bonds (distance) C4'-P energy: -121.767
bonds (distance) P-C4' energy: -127.715
flat angles C4'-P-C4' energy: -128.326
flat angles P-C4'-P energy: -62.519
tors. eta vs tors. theta energy: -32.775
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: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -674.573849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.573849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.573849 (E_RNA)
where:
Base-Base interactions energy: -325.202
where: short stacking energy: -162.911
Base-Backbone interact. energy: 7.739
local terms energy: -357.111041
where:
bonds (distance) C4'-P energy: -131.984
bonds (distance) P-C4' energy: -114.718
flat angles C4'-P-C4' energy: -83.040
flat angles P-C4'-P energy: -51.428
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: 1, replica: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -2686.445851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.445851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.445851 (E_RNA)
where:
Base-Base interactions energy: -1880.969
where: short stacking energy: -789.418
Base-Backbone interact. energy: 0.910
local terms energy: -806.387354
where:
bonds (distance) C4'-P energy: -137.956
bonds (distance) P-C4' energy: -149.490
flat angles C4'-P-C4' energy: -173.304
flat angles P-C4'-P energy: -106.759
tors. eta vs tors. theta energy: -238.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2571.172239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.172239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.172239 (E_RNA)
where:
Base-Base interactions energy: -1794.281
where: short stacking energy: -757.354
Base-Backbone interact. energy: -2.758
local terms energy: -774.132612
where:
bonds (distance) C4'-P energy: -150.745
bonds (distance) P-C4' energy: -142.485
flat angles C4'-P-C4' energy: -161.970
flat angles P-C4'-P energy: -101.511
tors. eta vs tors. theta energy: -217.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -2535.053575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.053575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.053575 (E_RNA)
where:
Base-Base interactions energy: -1732.084
where: short stacking energy: -734.206
Base-Backbone interact. energy: -2.582
local terms energy: -800.387679
where:
bonds (distance) C4'-P energy: -151.589
bonds (distance) P-C4' energy: -146.241
flat angles C4'-P-C4' energy: -155.709
flat angles P-C4'-P energy: -115.306
tors. eta vs tors. theta energy: -231.544
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: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -2283.132502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2283.132502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2283.132502 (E_RNA)
where:
Base-Base interactions energy: -1569.821
where: short stacking energy: -650.310
Base-Backbone interact. energy: -1.105
local terms energy: -712.207100
where:
bonds (distance) C4'-P energy: -130.337
bonds (distance) P-C4' energy: -139.142
flat angles C4'-P-C4' energy: -151.805
flat angles P-C4'-P energy: -97.241
tors. eta vs tors. theta energy: -193.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -2225.949375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.949375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.949375 (E_RNA)
where:
Base-Base interactions energy: -1500.539
where: short stacking energy: -623.244
Base-Backbone interact. energy: -4.073
local terms energy: -721.336923
where:
bonds (distance) C4'-P energy: -131.992
bonds (distance) P-C4' energy: -126.950
flat angles C4'-P-C4' energy: -157.464
flat angles P-C4'-P energy: -116.856
tors. eta vs tors. theta energy: -188.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1994.975239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.975239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.975239 (E_RNA)
where:
Base-Base interactions energy: -1310.186
where: short stacking energy: -550.297
Base-Backbone interact. energy: -0.470
local terms energy: -684.319840
where:
bonds (distance) C4'-P energy: -134.173
bonds (distance) P-C4' energy: -152.663
flat angles C4'-P-C4' energy: -143.106
flat angles P-C4'-P energy: -97.146
tors. eta vs tors. theta energy: -157.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1454.775192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.775192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.775192 (E_RNA)
where:
Base-Base interactions energy: -899.427
where: short stacking energy: -437.510
Base-Backbone interact. energy: -1.557
local terms energy: -553.791161
where:
bonds (distance) C4'-P energy: -115.800
bonds (distance) P-C4' energy: -124.218
flat angles C4'-P-C4' energy: -132.687
flat angles P-C4'-P energy: -77.970
tors. eta vs tors. theta energy: -103.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1351.641303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.641303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.641303 (E_RNA)
where:
Base-Base interactions energy: -827.197
where: short stacking energy: -404.616
Base-Backbone interact. energy: 4.515
local terms energy: -528.959734
where:
bonds (distance) C4'-P energy: -113.288
bonds (distance) P-C4' energy: -134.221
flat angles C4'-P-C4' energy: -113.375
flat angles P-C4'-P energy: -76.822
tors. eta vs tors. theta energy: -91.254
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -1105.063661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.063661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.063661 (E_RNA)
where:
Base-Base interactions energy: -625.128
where: short stacking energy: -297.232
Base-Backbone interact. energy: -0.537
local terms energy: -479.398544
where:
bonds (distance) C4'-P energy: -125.945
bonds (distance) P-C4' energy: -134.647
flat angles C4'-P-C4' energy: -128.367
flat angles P-C4'-P energy: -61.934
tors. eta vs tors. theta energy: -28.505
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: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -702.530753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.530753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.530753 (E_RNA)
where:
Base-Base interactions energy: -331.697
where: short stacking energy: -176.463
Base-Backbone interact. energy: -4.475
local terms energy: -366.359097
where:
bonds (distance) C4'-P energy: -128.812
bonds (distance) P-C4' energy: -124.409
flat angles C4'-P-C4' energy: -87.057
flat angles P-C4'-P energy: -49.656
tors. eta vs tors. theta energy: 23.575
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: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2673.791943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.791943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.791943 (E_RNA)
where:
Base-Base interactions energy: -1843.849
where: short stacking energy: -788.628
Base-Backbone interact. energy: -6.092
local terms energy: -823.851122
where:
bonds (distance) C4'-P energy: -146.741
bonds (distance) P-C4' energy: -158.457
flat angles C4'-P-C4' energy: -163.995
flat angles P-C4'-P energy: -125.168
tors. eta vs tors. theta energy: -229.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2609.824815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.824815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.824815 (E_RNA)
where:
Base-Base interactions energy: -1827.883
where: short stacking energy: -743.999
Base-Backbone interact. energy: -1.397
local terms energy: -780.544692
where:
bonds (distance) C4'-P energy: -149.745
bonds (distance) P-C4' energy: -125.587
flat angles C4'-P-C4' energy: -171.897
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -226.661
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: 3, replica: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -2568.385150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2568.385150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2568.385150 (E_RNA)
where:
Base-Base interactions energy: -1760.497
where: short stacking energy: -725.513
Base-Backbone interact. energy: 0.591
local terms energy: -808.479428
where:
bonds (distance) C4'-P energy: -148.812
bonds (distance) P-C4' energy: -124.562
flat angles C4'-P-C4' energy: -172.866
flat angles P-C4'-P energy: -120.014
tors. eta vs tors. theta energy: -242.226
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: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -2265.014755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2265.014755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2265.014755 (E_RNA)
where:
Base-Base interactions energy: -1522.344
where: short stacking energy: -611.023
Base-Backbone interact. energy: -0.504
local terms energy: -742.166162
where:
bonds (distance) C4'-P energy: -143.061
bonds (distance) P-C4' energy: -145.309
flat angles C4'-P-C4' energy: -158.618
flat angles P-C4'-P energy: -106.785
tors. eta vs tors. theta energy: -188.393
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: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -2213.961356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.961356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.961356 (E_RNA)
where:
Base-Base interactions energy: -1519.158
where: short stacking energy: -608.506
Base-Backbone interact. energy: -3.141
local terms energy: -691.661626
where:
bonds (distance) C4'-P energy: -125.425
bonds (distance) P-C4' energy: -130.214
flat angles C4'-P-C4' energy: -144.114
flat angles P-C4'-P energy: -107.205
tors. eta vs tors. theta energy: -184.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -2008.246656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.246656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.246656 (E_RNA)
where:
Base-Base interactions energy: -1325.386
where: short stacking energy: -593.742
Base-Backbone interact. energy: -2.224
local terms energy: -680.636532
where:
bonds (distance) C4'-P energy: -145.636
bonds (distance) P-C4' energy: -129.171
flat angles C4'-P-C4' energy: -150.979
flat angles P-C4'-P energy: -91.832
tors. eta vs tors. theta energy: -163.019
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: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1576.220733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.220733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.220733 (E_RNA)
where:
Base-Base interactions energy: -1000.080
where: short stacking energy: -424.592
Base-Backbone interact. energy: -2.701
local terms energy: -573.440195
where:
bonds (distance) C4'-P energy: -117.032
bonds (distance) P-C4' energy: -142.843
flat angles C4'-P-C4' energy: -131.666
flat angles P-C4'-P energy: -81.139
tors. eta vs tors. theta energy: -100.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1421.640631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.640631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.640631 (E_RNA)
where:
Base-Base interactions energy: -874.177
where: short stacking energy: -403.783
Base-Backbone interact. energy: 5.354
local terms energy: -552.817775
where:
bonds (distance) C4'-P energy: -138.796
bonds (distance) P-C4' energy: -132.283
flat angles C4'-P-C4' energy: -125.598
flat angles P-C4'-P energy: -77.518
tors. eta vs tors. theta energy: -78.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1089.830807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.830807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.830807 (E_RNA)
where:
Base-Base interactions energy: -605.684
where: short stacking energy: -305.150
Base-Backbone interact. energy: 5.587
local terms energy: -489.733259
where:
bonds (distance) C4'-P energy: -125.500
bonds (distance) P-C4' energy: -123.842
flat angles C4'-P-C4' energy: -128.900
flat angles P-C4'-P energy: -74.250
tors. eta vs tors. theta energy: -37.241
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: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -649.049038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.049038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.049038 (E_RNA)
where:
Base-Base interactions energy: -273.043
where: short stacking energy: -168.719
Base-Backbone interact. energy: -0.497
local terms energy: -375.508428
where:
bonds (distance) C4'-P energy: -99.506
bonds (distance) P-C4' energy: -126.556
flat angles C4'-P-C4' energy: -111.341
flat angles P-C4'-P energy: -44.079
tors. eta vs tors. theta energy: 5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2688.027136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2688.027136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2688.027136 (E_RNA)
where:
Base-Base interactions energy: -1847.446
where: short stacking energy: -780.649
Base-Backbone interact. energy: -2.200
local terms energy: -838.381332
where:
bonds (distance) C4'-P energy: -160.521
bonds (distance) P-C4' energy: -155.264
flat angles C4'-P-C4' energy: -173.326
flat angles P-C4'-P energy: -114.921
tors. eta vs tors. theta energy: -234.349
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: 9
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2593.582392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.582392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.582392 (E_RNA)
where:
Base-Base interactions energy: -1808.470
where: short stacking energy: -730.510
Base-Backbone interact. energy: -3.426
local terms energy: -781.687151
where:
bonds (distance) C4'-P energy: -125.157
bonds (distance) P-C4' energy: -145.729
flat angles C4'-P-C4' energy: -167.865
flat angles P-C4'-P energy: -114.291
tors. eta vs tors. theta energy: -228.645
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: 426
Temperature: 1.000000
Total energy: -2535.704029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2535.704029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2535.704029 (E_RNA)
where:
Base-Base interactions energy: -1731.315
where: short stacking energy: -738.827
Base-Backbone interact. energy: -0.475
local terms energy: -803.914067
where:
bonds (distance) C4'-P energy: -151.132
bonds (distance) P-C4' energy: -151.580
flat angles C4'-P-C4' energy: -159.702
flat angles P-C4'-P energy: -107.500
tors. eta vs tors. theta energy: -233.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -2287.454064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2287.454064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2287.454064 (E_RNA)
where:
Base-Base interactions energy: -1548.150
where: short stacking energy: -641.721
Base-Backbone interact. energy: -1.784
local terms energy: -737.519875
where:
bonds (distance) C4'-P energy: -138.695
bonds (distance) P-C4' energy: -133.829
flat angles C4'-P-C4' energy: -150.728
flat angles P-C4'-P energy: -113.601
tors. eta vs tors. theta energy: -200.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -2226.206680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2226.206680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2226.206680 (E_RNA)
where:
Base-Base interactions energy: -1542.678
where: short stacking energy: -612.800
Base-Backbone interact. energy: -5.868
local terms energy: -677.660822
where:
bonds (distance) C4'-P energy: -140.557
bonds (distance) P-C4' energy: -127.521
flat angles C4'-P-C4' energy: -143.483
flat angles P-C4'-P energy: -85.869
tors. eta vs tors. theta energy: -180.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1977.259113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.259113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.259113 (E_RNA)
where:
Base-Base interactions energy: -1313.910
where: short stacking energy: -542.711
Base-Backbone interact. energy: -4.322
local terms energy: -659.026309
where:
bonds (distance) C4'-P energy: -121.155
bonds (distance) P-C4' energy: -138.257
flat angles C4'-P-C4' energy: -146.650
flat angles P-C4'-P energy: -91.030
tors. eta vs tors. theta energy: -161.936
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: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1615.064100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.064100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.064100 (E_RNA)
where:
Base-Base interactions energy: -1067.887
where: short stacking energy: -471.735
Base-Backbone interact. energy: -4.582
local terms energy: -542.594597
where:
bonds (distance) C4'-P energy: -114.604
bonds (distance) P-C4' energy: -114.118
flat angles C4'-P-C4' energy: -129.033
flat angles P-C4'-P energy: -87.641
tors. eta vs tors. theta energy: -97.198
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: 426
Temperature: 1.250000
Total energy: -1395.010485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.010485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.010485 (E_RNA)
where:
Base-Base interactions energy: -891.571
where: short stacking energy: -421.042
Base-Backbone interact. energy: -1.560
local terms energy: -501.879918
where:
bonds (distance) C4'-P energy: -121.658
bonds (distance) P-C4' energy: -122.467
flat angles C4'-P-C4' energy: -106.552
flat angles P-C4'-P energy: -67.211
tors. eta vs tors. theta energy: -83.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1140.145959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.145959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.145959 (E_RNA)
where:
Base-Base interactions energy: -632.752
where: short stacking energy: -338.004
Base-Backbone interact. energy: 2.617
local terms energy: -510.011224
where:
bonds (distance) C4'-P energy: -137.193
bonds (distance) P-C4' energy: -128.162
flat angles C4'-P-C4' energy: -115.954
flat angles P-C4'-P energy: -89.282
tors. eta vs tors. theta energy: -39.420
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: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -642.718657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.718657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.718657 (E_RNA)
where:
Base-Base interactions energy: -274.877
where: short stacking energy: -185.475
Base-Backbone interact. energy: 3.990
local terms energy: -371.831054
where:
bonds (distance) C4'-P energy: -113.467
bonds (distance) P-C4' energy: -111.121
flat angles C4'-P-C4' energy: -115.058
flat angles P-C4'-P energy: -54.656
tors. eta vs tors. theta energy: 22.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2673.516992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2673.516992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2673.516992 (E_RNA)
where:
Base-Base interactions energy: -1844.039
where: short stacking energy: -763.454
Base-Backbone interact. energy: -4.981
local terms energy: -824.497126
where:
bonds (distance) C4'-P energy: -138.141
bonds (distance) P-C4' energy: -145.016
flat angles C4'-P-C4' energy: -179.555
flat angles P-C4'-P energy: -121.045
tors. eta vs tors. theta energy: -240.740
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: 427
Temperature: 0.950000
Total energy: -2571.307324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.307324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.307324 (E_RNA)
where:
Base-Base interactions energy: -1804.350
where: short stacking energy: -741.107
Base-Backbone interact. energy: -2.512
local terms energy: -764.445957
where:
bonds (distance) C4'-P energy: -136.051
bonds (distance) P-C4' energy: -140.094
flat angles C4'-P-C4' energy: -155.318
flat angles P-C4'-P energy: -107.902
tors. eta vs tors. theta energy: -225.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -2537.673329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2537.673329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2537.673329 (E_RNA)
where:
Base-Base interactions energy: -1738.474
where: short stacking energy: -696.579
Base-Backbone interact. energy: 1.227
local terms energy: -800.426328
where:
bonds (distance) C4'-P energy: -145.536
bonds (distance) P-C4' energy: -144.600
flat angles C4'-P-C4' energy: -165.486
flat angles P-C4'-P energy: -119.018
tors. eta vs tors. theta energy: -225.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -2255.056201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2255.056201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2255.056201 (E_RNA)
where:
Base-Base interactions energy: -1519.839
where: short stacking energy: -632.093
Base-Backbone interact. energy: -3.129
local terms energy: -732.087821
where:
bonds (distance) C4'-P energy: -138.179
bonds (distance) P-C4' energy: -143.178
flat angles C4'-P-C4' energy: -163.203
flat angles P-C4'-P energy: -103.471
tors. eta vs tors. theta energy: -184.058
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: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -2247.348374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.348374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.348374 (E_RNA)
where:
Base-Base interactions energy: -1552.518
where: short stacking energy: -630.016
Base-Backbone interact. energy: -0.902
local terms energy: -693.928868
where:
bonds (distance) C4'-P energy: -136.349
bonds (distance) P-C4' energy: -142.098
flat angles C4'-P-C4' energy: -145.974
flat angles P-C4'-P energy: -94.271
tors. eta vs tors. theta energy: -175.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1936.243864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.243864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.243864 (E_RNA)
where:
Base-Base interactions energy: -1259.967
where: short stacking energy: -569.699
Base-Backbone interact. energy: -1.638
local terms energy: -674.638904
where:
bonds (distance) C4'-P energy: -143.171
bonds (distance) P-C4' energy: -135.250
flat angles C4'-P-C4' energy: -151.385
flat angles P-C4'-P energy: -97.529
tors. eta vs tors. theta energy: -147.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1545.228947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.228947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.228947 (E_RNA)
where:
Base-Base interactions energy: -961.517
where: short stacking energy: -438.667
Base-Backbone interact. energy: -2.218
local terms energy: -581.493549
where:
bonds (distance) C4'-P energy: -137.313
bonds (distance) P-C4' energy: -133.072
flat angles C4'-P-C4' energy: -139.254
flat angles P-C4'-P energy: -82.595
tors. eta vs tors. theta energy: -89.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1393.658612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.658612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.658612 (E_RNA)
where:
Base-Base interactions energy: -851.345
where: short stacking energy: -409.877
Base-Backbone interact. energy: -0.622
local terms energy: -541.691983
where:
bonds (distance) C4'-P energy: -110.302
bonds (distance) P-C4' energy: -136.134
flat angles C4'-P-C4' energy: -127.465
flat angles P-C4'-P energy: -73.030
tors. eta vs tors. theta energy: -94.761
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: 7
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1043.488062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.488062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.488062 (E_RNA)
where:
Base-Base interactions energy: -589.675
where: short stacking energy: -281.424
Base-Backbone interact. energy: 9.421
local terms energy: -463.234234
where:
bonds (distance) C4'-P energy: -98.958
bonds (distance) P-C4' energy: -144.830
flat angles C4'-P-C4' energy: -128.770
flat angles P-C4'-P energy: -66.295
tors. eta vs tors. theta energy: -24.383
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: 10, replica: 1
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -651.717373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.717373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.717373 (E_RNA)
where:
Base-Base interactions energy: -279.981
where: short stacking energy: -187.147
Base-Backbone interact. energy: 11.484
local terms energy: -383.221049
where:
bonds (distance) C4'-P energy: -110.435
bonds (distance) P-C4' energy: -131.035
flat angles C4'-P-C4' energy: -84.444
flat angles P-C4'-P energy: -60.394
tors. eta vs tors. theta energy: 3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -2669.801645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2669.801645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2669.801645 (E_RNA)
where:
Base-Base interactions energy: -1864.174
where: short stacking energy: -762.393
Base-Backbone interact. energy: -1.860
local terms energy: -803.767162
where:
bonds (distance) C4'-P energy: -147.518
bonds (distance) P-C4' energy: -129.255
flat angles C4'-P-C4' energy: -174.580
flat angles P-C4'-P energy: -128.594
tors. eta vs tors. theta energy: -223.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -2571.058632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2571.058632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2571.058632 (E_RNA)
where:
Base-Base interactions energy: -1751.417
where: short stacking energy: -736.557
Base-Backbone interact. energy: -1.256
local terms energy: -818.386462
where:
bonds (distance) C4'-P energy: -143.926
bonds (distance) P-C4' energy: -156.045
flat angles C4'-P-C4' energy: -178.351
flat angles P-C4'-P energy: -110.208
tors. eta vs tors. theta energy: -229.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -2564.065364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2564.065364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2564.065364 (E_RNA)
where:
Base-Base interactions energy: -1765.625
where: short stacking energy: -712.256
Base-Backbone interact. energy: -0.238
local terms energy: -798.201742
where:
bonds (distance) C4'-P energy: -144.726
bonds (distance) P-C4' energy: -152.678
flat angles C4'-P-C4' energy: -166.121
flat angles P-C4'-P energy: -108.380
tors. eta vs tors. theta energy: -226.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -2270.668708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2270.668708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2270.668708 (E_RNA)
where:
Base-Base interactions energy: -1546.689
where: short stacking energy: -636.368
Base-Backbone interact. energy: 0.837
local terms energy: -724.815965
where:
bonds (distance) C4'-P energy: -142.678
bonds (distance) P-C4' energy: -142.395
flat angles C4'-P-C4' energy: -160.302
flat angles P-C4'-P energy: -94.319
tors. eta vs tors. theta energy: -185.122
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: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -2204.218445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2204.218445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2204.218445 (E_RNA)
where:
Base-Base interactions energy: -1495.512
where: short stacking energy: -596.925
Base-Backbone interact. energy: -2.106
local terms energy: -706.600874
where:
bonds (distance) C4'-P energy: -132.486
bonds (distance) P-C4' energy: -132.185
flat angles C4'-P-C4' energy: -156.372
flat angles P-C4'-P energy: -108.271
tors. eta vs tors. theta energy: -177.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1903.209896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.209896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.209896 (E_RNA)
where:
Base-Base interactions energy: -1237.117
where: short stacking energy: -529.258
Base-Backbone interact. energy: -1.876
local terms energy: -664.216960
where:
bonds (distance) C4'-P energy: -128.011
bonds (distance) P-C4' energy: -140.766
flat angles C4'-P-C4' energy: -146.811
flat angles P-C4'-P energy: -96.095
tors. eta vs tors. theta energy: -152.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1550.735808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.735808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.735808 (E_RNA)
where:
Base-Base interactions energy: -984.341
where: short stacking energy: -420.751
Base-Backbone interact. energy: -0.691
local terms energy: -565.703344
where:
bonds (distance) C4'-P energy: -117.088
bonds (distance) P-C4' energy: -142.334
flat angles C4'-P-C4' energy: -142.280
flat angles P-C4'-P energy: -75.625
tors. eta vs tors. theta energy: -88.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1461.783766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.783766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.783766 (E_RNA)
where:
Base-Base interactions energy: -876.272
where: short stacking energy: -405.497
Base-Backbone interact. energy: -2.394
local terms energy: -583.117926
where:
bonds (distance) C4'-P energy: -144.873
bonds (distance) P-C4' energy: -128.678
flat angles C4'-P-C4' energy: -135.461
flat angles P-C4'-P energy: -86.082
tors. eta vs tors. theta energy: -88.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -997.756827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.756827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.756827 (E_RNA)
where:
Base-Base interactions energy: -550.482
where: short stacking energy: -278.671
Base-Backbone interact. energy: -4.237
local terms energy: -443.037429
where:
bonds (distance) C4'-P energy: -114.286
bonds (distance) P-C4' energy: -130.949
flat angles C4'-P-C4' energy: -109.291
flat angles P-C4'-P energy: -59.938
tors. eta vs tors. theta energy: -28.574
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: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -661.725110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.725110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.725110 (E_RNA)
where:
Base-Base interactions energy: -244.421
where: short stacking energy: -180.212
Base-Backbone interact. energy: 0.912
local terms energy: -418.216326
where:
bonds (distance) C4'-P energy: -137.778
bonds (distance) P-C4' energy: -144.372
flat angles C4'-P-C4' energy: -104.046
flat angles P-C4'-P energy: -59.377
tors. eta vs tors. theta energy: 27.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2648.984070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2648.984070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2648.984070 (E_RNA)
where:
Base-Base interactions energy: -1838.820
where: short stacking energy: -787.006
Base-Backbone interact. energy: -2.992
local terms energy: -807.171548
where:
bonds (distance) C4'-P energy: -147.725
bonds (distance) P-C4' energy: -131.855
flat angles C4'-P-C4' energy: -178.979
flat angles P-C4'-P energy: -120.907
tors. eta vs tors. theta energy: -227.705
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: 2, replica: 5
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2608.027264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.027264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.027264 (E_RNA)
where:
Base-Base interactions energy: -1826.494
where: short stacking energy: -757.013
Base-Backbone interact. energy: -3.132
local terms energy: -778.401874
where:
bonds (distance) C4'-P energy: -128.686
bonds (distance) P-C4' energy: -132.852
flat angles C4'-P-C4' energy: -164.335
flat angles P-C4'-P energy: -121.722
tors. eta vs tors. theta energy: -230.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -2536.324115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2536.324115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2536.324115 (E_RNA)
where:
Base-Base interactions energy: -1762.802
where: short stacking energy: -726.554
Base-Backbone interact. energy: 5.898
local terms energy: -779.420445
where:
bonds (distance) C4'-P energy: -144.108
bonds (distance) P-C4' energy: -141.433
flat angles C4'-P-C4' energy: -167.367
flat angles P-C4'-P energy: -104.349
tors. eta vs tors. theta energy: -222.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -2277.211787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2277.211787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2277.211787 (E_RNA)
where:
Base-Base interactions energy: -1540.777
where: short stacking energy: -622.432
Base-Backbone interact. energy: 1.236
local terms energy: -737.670923
where:
bonds (distance) C4'-P energy: -137.517
bonds (distance) P-C4' energy: -153.537
flat angles C4'-P-C4' energy: -154.177
flat angles P-C4'-P energy: -102.805
tors. eta vs tors. theta energy: -189.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -2229.333077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2229.333077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2229.333077 (E_RNA)
where:
Base-Base interactions energy: -1526.816
where: short stacking energy: -632.679
Base-Backbone interact. energy: -1.215
local terms energy: -701.301444
where:
bonds (distance) C4'-P energy: -133.461
bonds (distance) P-C4' energy: -122.595
flat angles C4'-P-C4' energy: -160.149
flat angles P-C4'-P energy: -101.041
tors. eta vs tors. theta energy: -184.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1903.854048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.854048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.854048 (E_RNA)
where:
Base-Base interactions energy: -1256.634
where: short stacking energy: -541.836
Base-Backbone interact. energy: -1.152
local terms energy: -646.068138
where:
bonds (distance) C4'-P energy: -120.822
bonds (distance) P-C4' energy: -147.141
flat angles C4'-P-C4' energy: -135.649
flat angles P-C4'-P energy: -92.069
tors. eta vs tors. theta energy: -150.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1602.223635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.223635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.223635 (E_RNA)
where:
Base-Base interactions energy: -1016.158
where: short stacking energy: -453.870
Base-Backbone interact. energy: -4.689
local terms energy: -581.377080
where:
bonds (distance) C4'-P energy: -110.189
bonds (distance) P-C4' energy: -142.025
flat angles C4'-P-C4' energy: -131.325
flat angles P-C4'-P energy: -85.429
tors. eta vs tors. theta energy: -112.409
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: 429
Temperature: 1.250000
Total energy: -1436.329024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.329024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.329024 (E_RNA)
where:
Base-Base interactions energy: -885.237
where: short stacking energy: -411.024
Base-Backbone interact. energy: 2.337
local terms energy: -553.429269
where:
bonds (distance) C4'-P energy: -128.460
bonds (distance) P-C4' energy: -132.345
flat angles C4'-P-C4' energy: -123.608
flat angles P-C4'-P energy: -89.716
tors. eta vs tors. theta energy: -79.300
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: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1019.405311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.405311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.405311 (E_RNA)
where:
Base-Base interactions energy: -567.669
where: short stacking energy: -291.936
Base-Backbone interact. energy: -2.157
local terms energy: -449.579026
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -119.651
flat angles C4'-P-C4' energy: -134.493
flat angles P-C4'-P energy: -70.267
tors. eta vs tors. theta energy: -22.941
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: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -658.297123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.297123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.297123 (E_RNA)
where:
Base-Base interactions energy: -274.275
where: short stacking energy: -177.597
Base-Backbone interact. energy: -2.466
local terms energy: -381.556480
where:
bonds (distance) C4'-P energy: -123.870
bonds (distance) P-C4' energy: -112.047
flat angles C4'-P-C4' energy: -105.243
flat angles P-C4'-P energy: -58.299
tors. eta vs tors. theta energy: 17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2663.410919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.410919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.410919 (E_RNA)
where:
Base-Base interactions energy: -1826.212
where: short stacking energy: -753.961
Base-Backbone interact. energy: -4.619
local terms energy: -832.580651
where:
bonds (distance) C4'-P energy: -144.014
bonds (distance) P-C4' energy: -150.345
flat angles C4'-P-C4' energy: -167.547
flat angles P-C4'-P energy: -129.121
tors. eta vs tors. theta energy: -241.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2576.261457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2576.261457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2576.261457 (E_RNA)
where:
Base-Base interactions energy: -1731.664
where: short stacking energy: -736.210
Base-Backbone interact. energy: -3.065
local terms energy: -841.532884
where:
bonds (distance) C4'-P energy: -160.611
bonds (distance) P-C4' energy: -159.947
flat angles C4'-P-C4' energy: -188.571
flat angles P-C4'-P energy: -110.416
tors. eta vs tors. theta energy: -221.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -2510.920453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.920453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.920453 (E_RNA)
where:
Base-Base interactions energy: -1757.492
where: short stacking energy: -732.275
Base-Backbone interact. energy: -2.893
local terms energy: -750.534617
where:
bonds (distance) C4'-P energy: -138.407
bonds (distance) P-C4' energy: -144.688
flat angles C4'-P-C4' energy: -164.742
flat angles P-C4'-P energy: -90.763
tors. eta vs tors. theta energy: -211.935
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: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -2279.836545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2279.836545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2279.836545 (E_RNA)
where:
Base-Base interactions energy: -1567.434
where: short stacking energy: -611.420
Base-Backbone interact. energy: -1.147
local terms energy: -711.255775
where:
bonds (distance) C4'-P energy: -134.070
bonds (distance) P-C4' energy: -160.240
flat angles C4'-P-C4' energy: -156.815
flat angles P-C4'-P energy: -88.897
tors. eta vs tors. theta energy: -171.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -2216.032021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.032021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.032021 (E_RNA)
where:
Base-Base interactions energy: -1502.338
where: short stacking energy: -594.702
Base-Backbone interact. energy: -2.020
local terms energy: -711.673436
where:
bonds (distance) C4'-P energy: -122.947
bonds (distance) P-C4' energy: -152.041
flat angles C4'-P-C4' energy: -158.398
flat angles P-C4'-P energy: -94.295
tors. eta vs tors. theta energy: -183.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1928.694593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.694593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.694593 (E_RNA)
where:
Base-Base interactions energy: -1285.147
where: short stacking energy: -560.900
Base-Backbone interact. energy: 6.877
local terms energy: -650.423893
where:
bonds (distance) C4'-P energy: -142.869
bonds (distance) P-C4' energy: -127.958
flat angles C4'-P-C4' energy: -137.525
flat angles P-C4'-P energy: -87.215
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: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1547.263682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.263682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.263682 (E_RNA)
where:
Base-Base interactions energy: -1011.700
where: short stacking energy: -409.341
Base-Backbone interact. energy: -1.151
local terms energy: -534.412912
where:
bonds (distance) C4'-P energy: -127.581
bonds (distance) P-C4' energy: -145.924
flat angles C4'-P-C4' energy: -125.171
flat angles P-C4'-P energy: -60.616
tors. eta vs tors. theta energy: -75.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1326.767842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.767842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.767842 (E_RNA)
where:
Base-Base interactions energy: -790.125
where: short stacking energy: -380.306
Base-Backbone interact. energy: 1.114
local terms energy: -537.756091
where:
bonds (distance) C4'-P energy: -130.849
bonds (distance) P-C4' energy: -120.820
flat angles C4'-P-C4' energy: -132.145
flat angles P-C4'-P energy: -93.876
tors. eta vs tors. theta energy: -60.065
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: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1028.713647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.713647 (E_RNA)
where:
Base-Base interactions energy: -556.049
where: short stacking energy: -278.052
Base-Backbone interact. energy: 5.200
local terms energy: -477.864350
where:
bonds (distance) C4'-P energy: -111.848
bonds (distance) P-C4' energy: -145.577
flat angles C4'-P-C4' energy: -119.539
flat angles P-C4'-P energy: -80.378
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -662.319324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.319324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.319324 (E_RNA)
where:
Base-Base interactions energy: -277.728
where: short stacking energy: -175.867
Base-Backbone interact. energy: 7.069
local terms energy: -391.660193
where:
bonds (distance) C4'-P energy: -112.419
bonds (distance) P-C4' energy: -123.221
flat angles C4'-P-C4' energy: -115.694
flat angles P-C4'-P energy: -57.217
tors. eta vs tors. theta energy: 16.891
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: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2686.137064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.137064 (E_RNA)
where:
Base-Base interactions energy: -1845.045
where: short stacking energy: -780.260
Base-Backbone interact. energy: -3.026
local terms energy: -838.066921
where:
bonds (distance) C4'-P energy: -144.207
bonds (distance) P-C4' energy: -154.511
flat angles C4'-P-C4' energy: -175.582
flat angles P-C4'-P energy: -120.136
tors. eta vs tors. theta energy: -243.631
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: 2, replica: 5
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -2613.582154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2613.582154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2613.582154 (E_RNA)
where:
Base-Base interactions energy: -1793.660
where: short stacking energy: -775.632
Base-Backbone interact. energy: -1.386
local terms energy: -818.535809
where:
bonds (distance) C4'-P energy: -139.524
bonds (distance) P-C4' energy: -149.766
flat angles C4'-P-C4' energy: -173.226
flat angles P-C4'-P energy: -107.936
tors. eta vs tors. theta energy: -248.083
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: 3, replica: 9
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -2530.489216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.489216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.489216 (E_RNA)
where:
Base-Base interactions energy: -1746.616
where: short stacking energy: -712.363
Base-Backbone interact. energy: -5.117
local terms energy: -778.755979
where:
bonds (distance) C4'-P energy: -141.211
bonds (distance) P-C4' energy: -141.219
flat angles C4'-P-C4' energy: -168.521
flat angles P-C4'-P energy: -103.446
tors. eta vs tors. theta energy: -224.358
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: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -2356.822288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.822288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.822288 (E_RNA)
where:
Base-Base interactions energy: -1624.018
where: short stacking energy: -690.103
Base-Backbone interact. energy: -3.815
local terms energy: -728.989172
where:
bonds (distance) C4'-P energy: -129.280
bonds (distance) P-C4' energy: -133.623
flat angles C4'-P-C4' energy: -150.499
flat angles P-C4'-P energy: -108.472
tors. eta vs tors. theta energy: -207.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -2225.425319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2225.425319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2225.425319 (E_RNA)
where:
Base-Base interactions energy: -1508.613
where: short stacking energy: -606.178
Base-Backbone interact. energy: 3.170
local terms energy: -719.982319
where:
bonds (distance) C4'-P energy: -154.222
bonds (distance) P-C4' energy: -137.708
flat angles C4'-P-C4' energy: -149.266
flat angles P-C4'-P energy: -105.899
tors. eta vs tors. theta energy: -172.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1895.248892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.248892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.248892 (E_RNA)
where:
Base-Base interactions energy: -1262.499
where: short stacking energy: -532.143
Base-Backbone interact. energy: 1.173
local terms energy: -633.922141
where:
bonds (distance) C4'-P energy: -115.491
bonds (distance) P-C4' energy: -126.001
flat angles C4'-P-C4' energy: -154.648
flat angles P-C4'-P energy: -106.768
tors. eta vs tors. theta energy: -131.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1586.431941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.431941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.431941 (E_RNA)
where:
Base-Base interactions energy: -1005.370
where: short stacking energy: -448.643
Base-Backbone interact. energy: -0.828
local terms energy: -580.233307
where:
bonds (distance) C4'-P energy: -128.865
bonds (distance) P-C4' energy: -121.002
flat angles C4'-P-C4' energy: -131.975
flat angles P-C4'-P energy: -92.377
tors. eta vs tors. theta energy: -106.014
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: 431
Temperature: 1.250000
Total energy: -1332.733054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.733054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.733054 (E_RNA)
where:
Base-Base interactions energy: -783.259
where: short stacking energy: -345.608
Base-Backbone interact. energy: -0.369
local terms energy: -549.105358
where:
bonds (distance) C4'-P energy: -134.922
bonds (distance) P-C4' energy: -131.931
flat angles C4'-P-C4' energy: -126.347
flat angles P-C4'-P energy: -93.035
tors. eta vs tors. theta energy: -62.871
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: 7
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -984.135226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.135226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.135226 (E_RNA)
where:
Base-Base interactions energy: -558.577
where: short stacking energy: -278.192
Base-Backbone interact. energy: 0.192
local terms energy: -425.750648
where:
bonds (distance) C4'-P energy: -123.769
bonds (distance) P-C4' energy: -111.371
flat angles C4'-P-C4' energy: -114.354
flat angles P-C4'-P energy: -61.230
tors. eta vs tors. theta energy: -15.027
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: 1
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -639.417592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.417592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.417592 (E_RNA)
where:
Base-Base interactions energy: -290.867
where: short stacking energy: -201.235
Base-Backbone interact. energy: 0.327
local terms energy: -348.877541
where:
bonds (distance) C4'-P energy: -98.692
bonds (distance) P-C4' energy: -107.413
flat angles C4'-P-C4' energy: -120.743
flat angles P-C4'-P energy: -42.618
tors. eta vs tors. theta energy: 20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2668.323727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.323727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.323727 (E_RNA)
where:
Base-Base interactions energy: -1834.740
where: short stacking energy: -772.202
Base-Backbone interact. energy: -1.516
local terms energy: -832.067656
where:
bonds (distance) C4'-P energy: -148.928
bonds (distance) P-C4' energy: -153.462
flat angles C4'-P-C4' energy: -173.514
flat angles P-C4'-P energy: -118.888
tors. eta vs tors. theta energy: -237.275
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: 432
Temperature: 0.950000
Total energy: -2604.267826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.267826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.267826 (E_RNA)
where:
Base-Base interactions energy: -1779.144
where: short stacking energy: -752.706
Base-Backbone interact. energy: -2.761
local terms energy: -822.362571
where:
bonds (distance) C4'-P energy: -150.320
bonds (distance) P-C4' energy: -144.118
flat angles C4'-P-C4' energy: -177.411
flat angles P-C4'-P energy: -104.316
tors. eta vs tors. theta energy: -246.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -2529.712650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2529.712650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2529.712650 (E_RNA)
where:
Base-Base interactions energy: -1744.292
where: short stacking energy: -720.759
Base-Backbone interact. energy: -1.108
local terms energy: -784.313124
where:
bonds (distance) C4'-P energy: -131.916
bonds (distance) P-C4' energy: -135.981
flat angles C4'-P-C4' energy: -163.889
flat angles P-C4'-P energy: -115.656
tors. eta vs tors. theta energy: -236.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -2313.706279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.706279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.706279 (E_RNA)
where:
Base-Base interactions energy: -1584.163
where: short stacking energy: -645.709
Base-Backbone interact. energy: -2.348
local terms energy: -727.196092
where:
bonds (distance) C4'-P energy: -140.888
bonds (distance) P-C4' energy: -138.758
flat angles C4'-P-C4' energy: -146.650
flat angles P-C4'-P energy: -98.333
tors. eta vs tors. theta energy: -202.567
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: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -2213.097264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.097264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.097264 (E_RNA)
where:
Base-Base interactions energy: -1531.832
where: short stacking energy: -618.448
Base-Backbone interact. energy: 0.382
local terms energy: -681.647743
where:
bonds (distance) C4'-P energy: -139.826
bonds (distance) P-C4' energy: -124.369
flat angles C4'-P-C4' energy: -153.486
flat angles P-C4'-P energy: -91.711
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: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1861.114928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.114928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.114928 (E_RNA)
where:
Base-Base interactions energy: -1207.172
where: short stacking energy: -525.279
Base-Backbone interact. energy: -2.164
local terms energy: -651.778627
where:
bonds (distance) C4'-P energy: -124.532
bonds (distance) P-C4' energy: -150.292
flat angles C4'-P-C4' energy: -147.361
flat angles P-C4'-P energy: -90.586
tors. eta vs tors. theta energy: -139.007
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: 6
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1654.388469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.388469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.388469 (E_RNA)
where:
Base-Base interactions energy: -1091.180
where: short stacking energy: -442.494
Base-Backbone interact. energy: -1.332
local terms energy: -561.876346
where:
bonds (distance) C4'-P energy: -109.396
bonds (distance) P-C4' energy: -130.232
flat angles C4'-P-C4' energy: -135.981
flat angles P-C4'-P energy: -69.367
tors. eta vs tors. theta energy: -116.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1412.662516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.662516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.662516 (E_RNA)
where:
Base-Base interactions energy: -895.685
where: short stacking energy: -417.593
Base-Backbone interact. energy: 0.446
local terms energy: -517.424136
where:
bonds (distance) C4'-P energy: -109.220
bonds (distance) P-C4' energy: -107.030
flat angles C4'-P-C4' energy: -138.462
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -84.595
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: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -983.087364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.087364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.087364 (E_RNA)
where:
Base-Base interactions energy: -549.013
where: short stacking energy: -266.112
Base-Backbone interact. energy: -1.757
local terms energy: -432.317116
where:
bonds (distance) C4'-P energy: -117.126
bonds (distance) P-C4' energy: -110.989
flat angles C4'-P-C4' energy: -108.063
flat angles P-C4'-P energy: -62.687
tors. eta vs tors. theta energy: -33.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -656.786153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.786153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.786153 (E_RNA)
where:
Base-Base interactions energy: -246.584
where: short stacking energy: -159.402
Base-Backbone interact. energy: -3.701
local terms energy: -406.501621
where:
bonds (distance) C4'-P energy: -135.250
bonds (distance) P-C4' energy: -117.968
flat angles C4'-P-C4' energy: -98.584
flat angles P-C4'-P energy: -65.593
tors. eta vs tors. theta energy: 10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2651.642079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.642079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.642079 (E_RNA)
where:
Base-Base interactions energy: -1832.340
where: short stacking energy: -768.232
Base-Backbone interact. energy: 0.710
local terms energy: -820.012128
where:
bonds (distance) C4'-P energy: -146.111
bonds (distance) P-C4' energy: -159.689
flat angles C4'-P-C4' energy: -172.778
flat angles P-C4'-P energy: -113.831
tors. eta vs tors. theta energy: -227.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -2631.984695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2631.984695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2631.984695 (E_RNA)
where:
Base-Base interactions energy: -1804.641
where: short stacking energy: -758.297
Base-Backbone interact. energy: -2.849
local terms energy: -824.494032
where:
bonds (distance) C4'-P energy: -144.266
bonds (distance) P-C4' energy: -152.527
flat angles C4'-P-C4' energy: -173.909
flat angles P-C4'-P energy: -111.104
tors. eta vs tors. theta energy: -242.689
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: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -2500.779839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.779839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.779839 (E_RNA)
where:
Base-Base interactions energy: -1724.053
where: short stacking energy: -725.726
Base-Backbone interact. energy: 1.832
local terms energy: -778.558808
where:
bonds (distance) C4'-P energy: -145.011
bonds (distance) P-C4' energy: -135.395
flat angles C4'-P-C4' energy: -169.564
flat angles P-C4'-P energy: -106.481
tors. eta vs tors. theta energy: -222.108
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: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -2328.950460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.950460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.950460 (E_RNA)
where:
Base-Base interactions energy: -1594.749
where: short stacking energy: -652.471
Base-Backbone interact. energy: -0.005
local terms energy: -734.196353
where:
bonds (distance) C4'-P energy: -140.220
bonds (distance) P-C4' energy: -141.651
flat angles C4'-P-C4' energy: -150.725
flat angles P-C4'-P energy: -105.206
tors. eta vs tors. theta energy: -196.395
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: 5, replica: 3
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -2221.979006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.979006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.979006 (E_RNA)
where:
Base-Base interactions energy: -1537.260
where: short stacking energy: -614.948
Base-Backbone interact. energy: -2.988
local terms energy: -681.730506
where:
bonds (distance) C4'-P energy: -130.074
bonds (distance) P-C4' energy: -119.552
flat angles C4'-P-C4' energy: -157.716
flat angles P-C4'-P energy: -97.100
tors. eta vs tors. theta energy: -177.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1859.786169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.786169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.786169 (E_RNA)
where:
Base-Base interactions energy: -1243.387
where: short stacking energy: -556.243
Base-Backbone interact. energy: 0.211
local terms energy: -616.610171
where:
bonds (distance) C4'-P energy: -114.805
bonds (distance) P-C4' energy: -124.220
flat angles C4'-P-C4' energy: -138.756
flat angles P-C4'-P energy: -92.145
tors. eta vs tors. theta energy: -146.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1677.056749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.056749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.056749 (E_RNA)
where:
Base-Base interactions energy: -1067.066
where: short stacking energy: -473.793
Base-Backbone interact. energy: -2.444
local terms energy: -607.546288
where:
bonds (distance) C4'-P energy: -126.097
bonds (distance) P-C4' energy: -143.642
flat angles C4'-P-C4' energy: -139.263
flat angles P-C4'-P energy: -78.982
tors. eta vs tors. theta energy: -119.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1339.808946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.808946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.808946 (E_RNA)
where:
Base-Base interactions energy: -836.022
where: short stacking energy: -361.252
Base-Backbone interact. energy: 0.744
local terms energy: -504.531226
where:
bonds (distance) C4'-P energy: -115.583
bonds (distance) P-C4' energy: -137.749
flat angles C4'-P-C4' energy: -124.358
flat angles P-C4'-P energy: -57.122
tors. eta vs tors. theta energy: -69.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1012.253195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.253195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.253195 (E_RNA)
where:
Base-Base interactions energy: -562.229
where: short stacking energy: -277.778
Base-Backbone interact. energy: 0.239
local terms energy: -450.263346
where:
bonds (distance) C4'-P energy: -130.987
bonds (distance) P-C4' energy: -123.257
flat angles C4'-P-C4' energy: -109.620
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: -31.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -647.850772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.850772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.850772 (E_RNA)
where:
Base-Base interactions energy: -263.317
where: short stacking energy: -165.188
Base-Backbone interact. energy: -1.386
local terms energy: -383.147484
where:
bonds (distance) C4'-P energy: -104.401
bonds (distance) P-C4' energy: -133.334
flat angles C4'-P-C4' energy: -118.880
flat angles P-C4'-P energy: -61.391
tors. eta vs tors. theta energy: 34.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2660.101998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.101998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.101998 (E_RNA)
where:
Base-Base interactions energy: -1841.727
where: short stacking energy: -794.757
Base-Backbone interact. energy: 0.198
local terms energy: -818.572713
where:
bonds (distance) C4'-P energy: -142.241
bonds (distance) P-C4' energy: -151.534
flat angles C4'-P-C4' energy: -171.512
flat angles P-C4'-P energy: -116.162
tors. eta vs tors. theta energy: -237.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -2632.212729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.212729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.212729 (E_RNA)
where:
Base-Base interactions energy: -1799.251
where: short stacking energy: -765.313
Base-Backbone interact. energy: 0.400
local terms energy: -833.361528
where:
bonds (distance) C4'-P energy: -132.437
bonds (distance) P-C4' energy: -149.320
flat angles C4'-P-C4' energy: -188.432
flat angles P-C4'-P energy: -114.307
tors. eta vs tors. theta energy: -248.865
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: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -2510.565510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.565510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.565510 (E_RNA)
where:
Base-Base interactions energy: -1735.147
where: short stacking energy: -706.862
Base-Backbone interact. energy: 1.857
local terms energy: -777.275856
where:
bonds (distance) C4'-P energy: -134.073
bonds (distance) P-C4' energy: -139.703
flat angles C4'-P-C4' energy: -164.253
flat angles P-C4'-P energy: -121.337
tors. eta vs tors. theta energy: -217.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -2325.005142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.005142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.005142 (E_RNA)
where:
Base-Base interactions energy: -1613.889
where: short stacking energy: -665.506
Base-Backbone interact. energy: -1.565
local terms energy: -709.551601
where:
bonds (distance) C4'-P energy: -131.411
bonds (distance) P-C4' energy: -136.942
flat angles C4'-P-C4' energy: -156.266
flat angles P-C4'-P energy: -81.370
tors. eta vs tors. theta energy: -203.563
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: 3
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -2228.277696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2228.277696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2228.277696 (E_RNA)
where:
Base-Base interactions energy: -1565.139
where: short stacking energy: -637.518
Base-Backbone interact. energy: -1.439
local terms energy: -661.699227
where:
bonds (distance) C4'-P energy: -132.612
bonds (distance) P-C4' energy: -120.493
flat angles C4'-P-C4' energy: -147.466
flat angles P-C4'-P energy: -89.476
tors. eta vs tors. theta energy: -171.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1881.018432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.018432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.018432 (E_RNA)
where:
Base-Base interactions energy: -1239.781
where: short stacking energy: -530.281
Base-Backbone interact. energy: -1.010
local terms energy: -640.226748
where:
bonds (distance) C4'-P energy: -142.904
bonds (distance) P-C4' energy: -126.251
flat angles C4'-P-C4' energy: -125.773
flat angles P-C4'-P energy: -103.196
tors. eta vs tors. theta energy: -142.103
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: 6
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1661.881303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.881303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.881303 (E_RNA)
where:
Base-Base interactions energy: -1083.481
where: short stacking energy: -470.917
Base-Backbone interact. energy: -0.915
local terms energy: -577.485786
where:
bonds (distance) C4'-P energy: -125.748
bonds (distance) P-C4' energy: -140.961
flat angles C4'-P-C4' energy: -109.835
flat angles P-C4'-P energy: -79.820
tors. eta vs tors. theta energy: -121.122
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: 434
Temperature: 1.250000
Total energy: -1298.631773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.631773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.631773 (E_RNA)
where:
Base-Base interactions energy: -787.918
where: short stacking energy: -372.067
Base-Backbone interact. energy: -0.988
local terms energy: -509.725910
where:
bonds (distance) C4'-P energy: -103.053
bonds (distance) P-C4' energy: -126.489
flat angles C4'-P-C4' energy: -117.927
flat angles P-C4'-P energy: -95.227
tors. eta vs tors. theta energy: -67.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -965.717249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.717249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.717249 (E_RNA)
where:
Base-Base interactions energy: -553.902
where: short stacking energy: -285.042
Base-Backbone interact. energy: -1.654
local terms energy: -410.161136
where:
bonds (distance) C4'-P energy: -100.742
bonds (distance) P-C4' energy: -121.660
flat angles C4'-P-C4' energy: -105.089
flat angles P-C4'-P energy: -61.655
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: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -679.543527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.543527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.543527 (E_RNA)
where:
Base-Base interactions energy: -319.917
where: short stacking energy: -172.675
Base-Backbone interact. energy: 5.561
local terms energy: -365.187827
where:
bonds (distance) C4'-P energy: -109.225
bonds (distance) P-C4' energy: -104.132
flat angles C4'-P-C4' energy: -118.187
flat angles P-C4'-P energy: -55.522
tors. eta vs tors. theta energy: 21.879
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: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2678.849135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2678.849135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2678.849135 (E_RNA)
where:
Base-Base interactions energy: -1848.033
where: short stacking energy: -785.675
Base-Backbone interact. energy: -3.339
local terms energy: -827.477580
where:
bonds (distance) C4'-P energy: -144.881
bonds (distance) P-C4' energy: -144.334
flat angles C4'-P-C4' energy: -181.440
flat angles P-C4'-P energy: -118.453
tors. eta vs tors. theta energy: -238.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -2623.453520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.453520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.453520 (E_RNA)
where:
Base-Base interactions energy: -1808.854
where: short stacking energy: -747.955
Base-Backbone interact. energy: 1.061
local terms energy: -815.661308
where:
bonds (distance) C4'-P energy: -138.121
bonds (distance) P-C4' energy: -155.560
flat angles C4'-P-C4' energy: -168.953
flat angles P-C4'-P energy: -106.302
tors. eta vs tors. theta energy: -246.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -2550.276304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2550.276304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2550.276304 (E_RNA)
where:
Base-Base interactions energy: -1767.039
where: short stacking energy: -719.957
Base-Backbone interact. energy: 0.786
local terms energy: -784.023680
where:
bonds (distance) C4'-P energy: -137.471
bonds (distance) P-C4' energy: -146.346
flat angles C4'-P-C4' energy: -172.218
flat angles P-C4'-P energy: -114.137
tors. eta vs tors. theta energy: -213.851
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: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -2311.899375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.899375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.899375 (E_RNA)
where:
Base-Base interactions energy: -1577.389
where: short stacking energy: -660.425
Base-Backbone interact. energy: -3.586
local terms energy: -730.924430
where:
bonds (distance) C4'-P energy: -125.788
bonds (distance) P-C4' energy: -134.246
flat angles C4'-P-C4' energy: -159.347
flat angles P-C4'-P energy: -110.896
tors. eta vs tors. theta energy: -200.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -2129.095354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.095354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.095354 (E_RNA)
where:
Base-Base interactions energy: -1445.352
where: short stacking energy: -608.591
Base-Backbone interact. energy: 1.017
local terms energy: -684.761107
where:
bonds (distance) C4'-P energy: -144.745
bonds (distance) P-C4' energy: -148.326
flat angles C4'-P-C4' energy: -136.025
flat angles P-C4'-P energy: -97.353
tors. eta vs tors. theta energy: -158.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1857.357355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.357355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.357355 (E_RNA)
where:
Base-Base interactions energy: -1195.707
where: short stacking energy: -507.822
Base-Backbone interact. energy: -2.532
local terms energy: -659.117723
where:
bonds (distance) C4'-P energy: -113.154
bonds (distance) P-C4' energy: -149.656
flat angles C4'-P-C4' energy: -166.467
flat angles P-C4'-P energy: -96.784
tors. eta vs tors. theta energy: -133.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1658.821812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.821812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.821812 (E_RNA)
where:
Base-Base interactions energy: -1080.732
where: short stacking energy: -455.188
Base-Backbone interact. energy: -0.697
local terms energy: -577.392370
where:
bonds (distance) C4'-P energy: -125.495
bonds (distance) P-C4' energy: -123.046
flat angles C4'-P-C4' energy: -123.541
flat angles P-C4'-P energy: -90.017
tors. eta vs tors. theta energy: -115.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1366.716834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.716834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.716834 (E_RNA)
where:
Base-Base interactions energy: -835.883
where: short stacking energy: -389.924
Base-Backbone interact. energy: -2.889
local terms energy: -527.945185
where:
bonds (distance) C4'-P energy: -127.332
bonds (distance) P-C4' energy: -117.958
flat angles C4'-P-C4' energy: -144.943
flat angles P-C4'-P energy: -50.440
tors. eta vs tors. theta energy: -87.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -968.121830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.121830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.121830 (E_RNA)
where:
Base-Base interactions energy: -540.107
where: short stacking energy: -277.828
Base-Backbone interact. energy: 2.147
local terms energy: -430.161717
where:
bonds (distance) C4'-P energy: -115.940
bonds (distance) P-C4' energy: -130.807
flat angles C4'-P-C4' energy: -115.650
flat angles P-C4'-P energy: -45.921
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -681.662274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.662274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.662274 (E_RNA)
where:
Base-Base interactions energy: -322.247
where: short stacking energy: -193.651
Base-Backbone interact. energy: -0.067
local terms energy: -359.348041
where:
bonds (distance) C4'-P energy: -98.466
bonds (distance) P-C4' energy: -118.548
flat angles C4'-P-C4' energy: -102.565
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: 10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2679.253061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2679.253061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2679.253061 (E_RNA)
where:
Base-Base interactions energy: -1869.225
where: short stacking energy: -775.565
Base-Backbone interact. energy: -4.953
local terms energy: -805.074825
where:
bonds (distance) C4'-P energy: -155.002
bonds (distance) P-C4' energy: -142.680
flat angles C4'-P-C4' energy: -163.645
flat angles P-C4'-P energy: -109.078
tors. eta vs tors. theta energy: -234.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2618.384671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2618.384671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2618.384671 (E_RNA)
where:
Base-Base interactions energy: -1793.761
where: short stacking energy: -748.098
Base-Backbone interact. energy: 2.763
local terms energy: -827.386474
where:
bonds (distance) C4'-P energy: -152.690
bonds (distance) P-C4' energy: -148.553
flat angles C4'-P-C4' energy: -164.238
flat angles P-C4'-P energy: -117.619
tors. eta vs tors. theta energy: -244.288
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: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -2552.050458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2552.050458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2552.050458 (E_RNA)
where:
Base-Base interactions energy: -1768.424
where: short stacking energy: -729.034
Base-Backbone interact. energy: -2.985
local terms energy: -780.641566
where:
bonds (distance) C4'-P energy: -136.766
bonds (distance) P-C4' energy: -146.411
flat angles C4'-P-C4' energy: -161.163
flat angles P-C4'-P energy: -113.976
tors. eta vs tors. theta energy: -222.326
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: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -2317.213265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2317.213265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2317.213265 (E_RNA)
where:
Base-Base interactions energy: -1575.819
where: short stacking energy: -652.339
Base-Backbone interact. energy: -3.530
local terms energy: -737.864557
where:
bonds (distance) C4'-P energy: -123.754
bonds (distance) P-C4' energy: -151.058
flat angles C4'-P-C4' energy: -154.422
flat angles P-C4'-P energy: -112.217
tors. eta vs tors. theta energy: -196.414
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: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -2132.203005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2132.203005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2132.203005 (E_RNA)
where:
Base-Base interactions energy: -1454.230
where: short stacking energy: -585.982
Base-Backbone interact. energy: 3.759
local terms energy: -681.731546
where:
bonds (distance) C4'-P energy: -136.863
bonds (distance) P-C4' energy: -128.731
flat angles C4'-P-C4' energy: -154.671
flat angles P-C4'-P energy: -82.775
tors. eta vs tors. theta energy: -178.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1853.447888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.447888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.447888 (E_RNA)
where:
Base-Base interactions energy: -1230.081
where: short stacking energy: -525.759
Base-Backbone interact. energy: -2.077
local terms energy: -621.289553
where:
bonds (distance) C4'-P energy: -137.365
bonds (distance) P-C4' energy: -128.652
flat angles C4'-P-C4' energy: -133.956
flat angles P-C4'-P energy: -91.917
tors. eta vs tors. theta energy: -129.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1691.465314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.465314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.465314 (E_RNA)
where:
Base-Base interactions energy: -1069.176
where: short stacking energy: -489.377
Base-Backbone interact. energy: -1.937
local terms energy: -620.352914
where:
bonds (distance) C4'-P energy: -122.308
bonds (distance) P-C4' energy: -121.627
flat angles C4'-P-C4' energy: -147.176
flat angles P-C4'-P energy: -96.602
tors. eta vs tors. theta energy: -132.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1276.338166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.338166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.338166 (E_RNA)
where:
Base-Base interactions energy: -760.169
where: short stacking energy: -318.663
Base-Backbone interact. energy: 0.756
local terms energy: -516.925407
where:
bonds (distance) C4'-P energy: -126.965
bonds (distance) P-C4' energy: -139.037
flat angles C4'-P-C4' energy: -112.862
flat angles P-C4'-P energy: -80.069
tors. eta vs tors. theta energy: -57.992
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: 7
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -980.576162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.576162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.576162 (E_RNA)
where:
Base-Base interactions energy: -551.101
where: short stacking energy: -278.059
Base-Backbone interact. energy: 0.379
local terms energy: -429.854006
where:
bonds (distance) C4'-P energy: -114.494
bonds (distance) P-C4' energy: -130.201
flat angles C4'-P-C4' energy: -118.375
flat angles P-C4'-P energy: -65.008
tors. eta vs tors. theta energy: -1.775
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: 10, replica: 1
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -673.339156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.339156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.339156 (E_RNA)
where:
Base-Base interactions energy: -298.646
where: short stacking energy: -178.628
Base-Backbone interact. energy: 4.816
local terms energy: -379.508545
where:
bonds (distance) C4'-P energy: -118.294
bonds (distance) P-C4' energy: -133.795
flat angles C4'-P-C4' energy: -101.473
flat angles P-C4'-P energy: -44.341
tors. eta vs tors. theta energy: 18.394
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: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2676.986296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2676.986296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2676.986296 (E_RNA)
where:
Base-Base interactions energy: -1840.832
where: short stacking energy: -784.058
Base-Backbone interact. energy: -5.212
local terms energy: -830.942274
where:
bonds (distance) C4'-P energy: -135.078
bonds (distance) P-C4' energy: -163.647
flat angles C4'-P-C4' energy: -169.093
flat angles P-C4'-P energy: -118.094
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: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2591.924294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.924294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.924294 (E_RNA)
where:
Base-Base interactions energy: -1780.517
where: short stacking energy: -745.845
Base-Backbone interact. energy: -3.527
local terms energy: -807.880473
where:
bonds (distance) C4'-P energy: -154.184
bonds (distance) P-C4' energy: -140.581
flat angles C4'-P-C4' energy: -173.371
flat angles P-C4'-P energy: -111.694
tors. eta vs tors. theta energy: -228.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -2499.550890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.550890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.550890 (E_RNA)
where:
Base-Base interactions energy: -1731.129
where: short stacking energy: -707.345
Base-Backbone interact. energy: 2.494
local terms energy: -770.915924
where:
bonds (distance) C4'-P energy: -130.982
bonds (distance) P-C4' energy: -148.526
flat angles C4'-P-C4' energy: -166.186
flat angles P-C4'-P energy: -111.405
tors. eta vs tors. theta energy: -213.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -2286.817091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2286.817091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2286.817091 (E_RNA)
where:
Base-Base interactions energy: -1575.101
where: short stacking energy: -638.879
Base-Backbone interact. energy: -4.751
local terms energy: -706.965553
where:
bonds (distance) C4'-P energy: -145.244
bonds (distance) P-C4' energy: -139.948
flat angles C4'-P-C4' energy: -150.758
flat angles P-C4'-P energy: -87.342
tors. eta vs tors. theta energy: -183.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -2105.250908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.250908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.250908 (E_RNA)
where:
Base-Base interactions energy: -1436.399
where: short stacking energy: -601.661
Base-Backbone interact. energy: 0.852
local terms energy: -669.703978
where:
bonds (distance) C4'-P energy: -130.850
bonds (distance) P-C4' energy: -133.065
flat angles C4'-P-C4' energy: -145.272
flat angles P-C4'-P energy: -91.745
tors. eta vs tors. theta energy: -168.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1875.818377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.818377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.818377 (E_RNA)
where:
Base-Base interactions energy: -1263.378
where: short stacking energy: -537.460
Base-Backbone interact. energy: -0.284
local terms energy: -612.156734
where:
bonds (distance) C4'-P energy: -130.411
bonds (distance) P-C4' energy: -125.496
flat angles C4'-P-C4' energy: -135.457
flat angles P-C4'-P energy: -85.906
tors. eta vs tors. theta energy: -134.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1679.539164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.539164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.539164 (E_RNA)
where:
Base-Base interactions energy: -1080.671
where: short stacking energy: -483.593
Base-Backbone interact. energy: -2.265
local terms energy: -596.603167
where:
bonds (distance) C4'-P energy: -124.807
bonds (distance) P-C4' energy: -115.101
flat angles C4'-P-C4' energy: -130.914
flat angles P-C4'-P energy: -98.850
tors. eta vs tors. theta energy: -126.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1269.011192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.011192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.011192 (E_RNA)
where:
Base-Base interactions energy: -786.864
where: short stacking energy: -350.547
Base-Backbone interact. energy: 4.563
local terms energy: -486.710401
where:
bonds (distance) C4'-P energy: -119.137
bonds (distance) P-C4' energy: -118.847
flat angles C4'-P-C4' energy: -135.541
flat angles P-C4'-P energy: -63.420
tors. eta vs tors. theta energy: -49.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -932.642812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.642812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.642812 (E_RNA)
where:
Base-Base interactions energy: -507.641
where: short stacking energy: -253.175
Base-Backbone interact. energy: 0.036
local terms energy: -425.037998
where:
bonds (distance) C4'-P energy: -121.226
bonds (distance) P-C4' energy: -136.204
flat angles C4'-P-C4' energy: -104.864
flat angles P-C4'-P energy: -48.320
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -629.710036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.710036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.710036 (E_RNA)
where:
Base-Base interactions energy: -253.379
where: short stacking energy: -172.214
Base-Backbone interact. energy: 0.585
local terms energy: -376.916162
where:
bonds (distance) C4'-P energy: -114.113
bonds (distance) P-C4' energy: -115.857
flat angles C4'-P-C4' energy: -115.609
flat angles P-C4'-P energy: -53.301
tors. eta vs tors. theta energy: 21.964
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: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2663.278503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.278503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.278503 (E_RNA)
where:
Base-Base interactions energy: -1845.212
where: short stacking energy: -806.372
Base-Backbone interact. energy: -1.994
local terms energy: -816.071797
where:
bonds (distance) C4'-P energy: -139.261
bonds (distance) P-C4' energy: -144.000
flat angles C4'-P-C4' energy: -182.551
flat angles P-C4'-P energy: -101.347
tors. eta vs tors. theta energy: -248.912
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: 438
Temperature: 0.950000
Total energy: -2593.048750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.048750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.048750 (E_RNA)
where:
Base-Base interactions energy: -1760.719
where: short stacking energy: -766.105
Base-Backbone interact. energy: -3.467
local terms energy: -828.862134
where:
bonds (distance) C4'-P energy: -157.672
bonds (distance) P-C4' energy: -136.406
flat angles C4'-P-C4' energy: -174.092
flat angles P-C4'-P energy: -118.433
tors. eta vs tors. theta energy: -242.260
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: 438
Temperature: 1.000000
Total energy: -2509.444408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2509.444408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2509.444408 (E_RNA)
where:
Base-Base interactions energy: -1757.256
where: short stacking energy: -719.520
Base-Backbone interact. energy: -1.896
local terms energy: -750.292840
where:
bonds (distance) C4'-P energy: -131.526
bonds (distance) P-C4' energy: -142.062
flat angles C4'-P-C4' energy: -152.777
flat angles P-C4'-P energy: -96.128
tors. eta vs tors. theta energy: -227.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -2315.342353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2315.342353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2315.342353 (E_RNA)
where:
Base-Base interactions energy: -1580.035
where: short stacking energy: -639.930
Base-Backbone interact. energy: -2.600
local terms energy: -732.707597
where:
bonds (distance) C4'-P energy: -137.076
bonds (distance) P-C4' energy: -130.221
flat angles C4'-P-C4' energy: -157.621
flat angles P-C4'-P energy: -105.574
tors. eta vs tors. theta energy: -202.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -2161.375237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2161.375237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2161.375237 (E_RNA)
where:
Base-Base interactions energy: -1439.399
where: short stacking energy: -621.338
Base-Backbone interact. energy: -1.914
local terms energy: -720.062516
where:
bonds (distance) C4'-P energy: -151.504
bonds (distance) P-C4' energy: -141.151
flat angles C4'-P-C4' energy: -156.152
flat angles P-C4'-P energy: -95.668
tors. eta vs tors. theta energy: -175.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1847.990800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.990800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.990800 (E_RNA)
where:
Base-Base interactions energy: -1191.352
where: short stacking energy: -523.350
Base-Backbone interact. energy: -0.396
local terms energy: -656.242475
where:
bonds (distance) C4'-P energy: -146.871
bonds (distance) P-C4' energy: -134.843
flat angles C4'-P-C4' energy: -154.270
flat angles P-C4'-P energy: -86.364
tors. eta vs tors. theta energy: -133.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1689.205935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.205935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.205935 (E_RNA)
where:
Base-Base interactions energy: -1109.211
where: short stacking energy: -469.203
Base-Backbone interact. energy: -1.576
local terms energy: -578.419032
where:
bonds (distance) C4'-P energy: -117.461
bonds (distance) P-C4' energy: -139.788
flat angles C4'-P-C4' energy: -137.095
flat angles P-C4'-P energy: -75.864
tors. eta vs tors. theta energy: -108.211
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: 438
Temperature: 1.250000
Total energy: -1296.709083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.709083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.709083 (E_RNA)
where:
Base-Base interactions energy: -762.312
where: short stacking energy: -366.985
Base-Backbone interact. energy: -4.058
local terms energy: -530.339056
where:
bonds (distance) C4'-P energy: -112.841
bonds (distance) P-C4' energy: -121.058
flat angles C4'-P-C4' energy: -134.561
flat angles P-C4'-P energy: -80.215
tors. eta vs tors. theta energy: -81.664
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: 9, replica: 7
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1002.425575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.425575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.425575 (E_RNA)
where:
Base-Base interactions energy: -541.299
where: short stacking energy: -249.188
Base-Backbone interact. energy: -0.586
local terms energy: -460.540383
where:
bonds (distance) C4'-P energy: -113.167
bonds (distance) P-C4' energy: -139.497
flat angles C4'-P-C4' energy: -112.761
flat angles P-C4'-P energy: -67.035
tors. eta vs tors. theta energy: -28.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -644.491351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.491351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.491351 (E_RNA)
where:
Base-Base interactions energy: -258.637
where: short stacking energy: -170.519
Base-Backbone interact. energy: 3.362
local terms energy: -389.216652
where:
bonds (distance) C4'-P energy: -122.576
bonds (distance) P-C4' energy: -117.579
flat angles C4'-P-C4' energy: -106.317
flat angles P-C4'-P energy: -63.611
tors. eta vs tors. theta energy: 20.865
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: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2655.775108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2655.775108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2655.775108 (E_RNA)
where:
Base-Base interactions energy: -1816.045
where: short stacking energy: -773.915
Base-Backbone interact. energy: -5.056
local terms energy: -834.673644
where:
bonds (distance) C4'-P energy: -145.084
bonds (distance) P-C4' energy: -148.939
flat angles C4'-P-C4' energy: -185.475
flat angles P-C4'-P energy: -120.469
tors. eta vs tors. theta energy: -234.707
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: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2595.681512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.681512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.681512 (E_RNA)
where:
Base-Base interactions energy: -1793.629
where: short stacking energy: -771.100
Base-Backbone interact. energy: -0.316
local terms energy: -801.736414
where:
bonds (distance) C4'-P energy: -133.698
bonds (distance) P-C4' energy: -153.913
flat angles C4'-P-C4' energy: -174.097
flat angles P-C4'-P energy: -109.053
tors. eta vs tors. theta energy: -230.976
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: 3, replica: 9
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -2522.722091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.722091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.722091 (E_RNA)
where:
Base-Base interactions energy: -1768.890
where: short stacking energy: -683.701
Base-Backbone interact. energy: 4.026
local terms energy: -757.858339
where:
bonds (distance) C4'-P energy: -126.671
bonds (distance) P-C4' energy: -146.966
flat angles C4'-P-C4' energy: -161.445
flat angles P-C4'-P energy: -115.518
tors. eta vs tors. theta energy: -207.258
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: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -2309.234754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2309.234754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2309.234754 (E_RNA)
where:
Base-Base interactions energy: -1567.068
where: short stacking energy: -662.055
Base-Backbone interact. energy: 4.167
local terms energy: -746.333699
where:
bonds (distance) C4'-P energy: -153.616
bonds (distance) P-C4' energy: -147.127
flat angles C4'-P-C4' energy: -153.522
flat angles P-C4'-P energy: -92.823
tors. eta vs tors. theta energy: -199.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -2103.187761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.187761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.187761 (E_RNA)
where:
Base-Base interactions energy: -1408.729
where: short stacking energy: -593.747
Base-Backbone interact. energy: -2.267
local terms energy: -692.192080
where:
bonds (distance) C4'-P energy: -129.704
bonds (distance) P-C4' energy: -138.757
flat angles C4'-P-C4' energy: -149.881
flat angles P-C4'-P energy: -99.980
tors. eta vs tors. theta energy: -173.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1957.895683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.895683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.895683 (E_RNA)
where:
Base-Base interactions energy: -1266.873
where: short stacking energy: -559.735
Base-Backbone interact. energy: -2.888
local terms energy: -688.134883
where:
bonds (distance) C4'-P energy: -130.666
bonds (distance) P-C4' energy: -156.570
flat angles C4'-P-C4' energy: -157.475
flat angles P-C4'-P energy: -92.435
tors. eta vs tors. theta energy: -150.989
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: 6
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1651.829802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.829802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.829802 (E_RNA)
where:
Base-Base interactions energy: -1092.417
where: short stacking energy: -462.511
Base-Backbone interact. energy: -2.962
local terms energy: -556.451065
where:
bonds (distance) C4'-P energy: -123.013
bonds (distance) P-C4' energy: -103.881
flat angles C4'-P-C4' energy: -134.347
flat angles P-C4'-P energy: -80.816
tors. eta vs tors. theta energy: -114.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -1303.081411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.081411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.081411 (E_RNA)
where:
Base-Base interactions energy: -763.390
where: short stacking energy: -374.312
Base-Backbone interact. energy: -0.713
local terms energy: -538.978718
where:
bonds (distance) C4'-P energy: -106.376
bonds (distance) P-C4' energy: -130.414
flat angles C4'-P-C4' energy: -146.593
flat angles P-C4'-P energy: -79.426
tors. eta vs tors. theta energy: -76.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1024.986127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.986127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.986127 (E_RNA)
where:
Base-Base interactions energy: -584.703
where: short stacking energy: -271.863
Base-Backbone interact. energy: 3.684
local terms energy: -443.967555
where:
bonds (distance) C4'-P energy: -112.358
bonds (distance) P-C4' energy: -134.276
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -64.384
tors. eta vs tors. theta energy: -26.703
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: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -628.700539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.700539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.700539 (E_RNA)
where:
Base-Base interactions energy: -240.623
where: short stacking energy: -158.442
Base-Backbone interact. energy: -2.082
local terms energy: -385.995571
where:
bonds (distance) C4'-P energy: -117.126
bonds (distance) P-C4' energy: -129.637
flat angles C4'-P-C4' energy: -119.942
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: 31.358
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: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2651.998571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.998571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.998571 (E_RNA)
where:
Base-Base interactions energy: -1808.372
where: short stacking energy: -779.184
Base-Backbone interact. energy: -3.992
local terms energy: -839.633745
where:
bonds (distance) C4'-P energy: -142.474
bonds (distance) P-C4' energy: -159.105
flat angles C4'-P-C4' energy: -171.512
flat angles P-C4'-P energy: -130.792
tors. eta vs tors. theta energy: -235.750
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: 5
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2582.385787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2582.385787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2582.385787 (E_RNA)
where:
Base-Base interactions energy: -1764.962
where: short stacking energy: -742.479
Base-Backbone interact. energy: -2.013
local terms energy: -815.411113
where:
bonds (distance) C4'-P energy: -146.914
bonds (distance) P-C4' energy: -147.214
flat angles C4'-P-C4' energy: -181.548
flat angles P-C4'-P energy: -109.281
tors. eta vs tors. theta energy: -230.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -2553.831393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.831393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.831393 (E_RNA)
where:
Base-Base interactions energy: -1776.580
where: short stacking energy: -729.858
Base-Backbone interact. energy: 0.995
local terms energy: -778.246684
where:
bonds (distance) C4'-P energy: -160.608
bonds (distance) P-C4' energy: -128.067
flat angles C4'-P-C4' energy: -169.768
flat angles P-C4'-P energy: -100.655
tors. eta vs tors. theta energy: -219.149
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: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -2369.078608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.078608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.078608 (E_RNA)
where:
Base-Base interactions energy: -1641.629
where: short stacking energy: -677.398
Base-Backbone interact. energy: 1.170
local terms energy: -728.620014
where:
bonds (distance) C4'-P energy: -140.126
bonds (distance) P-C4' energy: -135.025
flat angles C4'-P-C4' energy: -146.732
flat angles P-C4'-P energy: -102.619
tors. eta vs tors. theta energy: -204.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -2121.511596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.511596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.511596 (E_RNA)
where:
Base-Base interactions energy: -1453.095
where: short stacking energy: -616.323
Base-Backbone interact. energy: 1.012
local terms energy: -669.427912
where:
bonds (distance) C4'-P energy: -116.999
bonds (distance) P-C4' energy: -143.002
flat angles C4'-P-C4' energy: -148.363
flat angles P-C4'-P energy: -87.118
tors. eta vs tors. theta energy: -173.946
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: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1886.031384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.031384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.031384 (E_RNA)
where:
Base-Base interactions energy: -1252.792
where: short stacking energy: -539.665
Base-Backbone interact. energy: 1.975
local terms energy: -635.214937
where:
bonds (distance) C4'-P energy: -128.470
bonds (distance) P-C4' energy: -131.243
flat angles C4'-P-C4' energy: -140.484
flat angles P-C4'-P energy: -90.099
tors. eta vs tors. theta energy: -144.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1659.867630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.867630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.867630 (E_RNA)
where:
Base-Base interactions energy: -1061.676
where: short stacking energy: -473.512
Base-Backbone interact. energy: -1.857
local terms energy: -596.334478
where:
bonds (distance) C4'-P energy: -128.004
bonds (distance) P-C4' energy: -132.285
flat angles C4'-P-C4' energy: -118.270
flat angles P-C4'-P energy: -95.402
tors. eta vs tors. theta energy: -122.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1366.386222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.386222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.386222 (E_RNA)
where:
Base-Base interactions energy: -820.652
where: short stacking energy: -396.519
Base-Backbone interact. energy: -0.688
local terms energy: -545.046749
where:
bonds (distance) C4'-P energy: -121.979
bonds (distance) P-C4' energy: -136.877
flat angles C4'-P-C4' energy: -142.219
flat angles P-C4'-P energy: -69.206
tors. eta vs tors. theta energy: -74.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1025.017059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.017059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.017059 (E_RNA)
where:
Base-Base interactions energy: -562.642
where: short stacking energy: -275.948
Base-Backbone interact. energy: -2.860
local terms energy: -459.515292
where:
bonds (distance) C4'-P energy: -130.410
bonds (distance) P-C4' energy: -126.330
flat angles C4'-P-C4' energy: -110.631
flat angles P-C4'-P energy: -82.226
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -645.946516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.946516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.946516 (E_RNA)
where:
Base-Base interactions energy: -283.738
where: short stacking energy: -172.367
Base-Backbone interact. energy: 9.551
local terms energy: -371.759462
where:
bonds (distance) C4'-P energy: -120.279
bonds (distance) P-C4' energy: -122.414
flat angles C4'-P-C4' energy: -98.394
flat angles P-C4'-P energy: -57.252
tors. eta vs tors. theta energy: 26.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2687.004802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.004802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.004802 (E_RNA)
where:
Base-Base interactions energy: -1859.238
where: short stacking energy: -811.613
Base-Backbone interact. energy: -1.506
local terms energy: -826.261359
where:
bonds (distance) C4'-P energy: -141.910
bonds (distance) P-C4' energy: -145.705
flat angles C4'-P-C4' energy: -171.750
flat angles P-C4'-P energy: -122.456
tors. eta vs tors. theta energy: -244.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2581.455084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2581.455084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2581.455084 (E_RNA)
where:
Base-Base interactions energy: -1770.017
where: short stacking energy: -709.222
Base-Backbone interact. energy: -4.871
local terms energy: -806.567096
where:
bonds (distance) C4'-P energy: -150.100
bonds (distance) P-C4' energy: -156.987
flat angles C4'-P-C4' energy: -176.880
flat angles P-C4'-P energy: -112.673
tors. eta vs tors. theta energy: -209.927
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: 5
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -2530.560920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.560920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.560920 (E_RNA)
where:
Base-Base interactions energy: -1743.293
where: short stacking energy: -742.659
Base-Backbone interact. energy: -4.059
local terms energy: -783.208897
where:
bonds (distance) C4'-P energy: -142.067
bonds (distance) P-C4' energy: -147.498
flat angles C4'-P-C4' energy: -159.588
flat angles P-C4'-P energy: -107.207
tors. eta vs tors. theta energy: -226.849
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: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -2326.586330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2326.586330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2326.586330 (E_RNA)
where:
Base-Base interactions energy: -1666.223
where: short stacking energy: -700.534
Base-Backbone interact. energy: 0.336
local terms energy: -660.699162
where:
bonds (distance) C4'-P energy: -132.605
bonds (distance) P-C4' energy: -101.116
flat angles C4'-P-C4' energy: -143.898
flat angles P-C4'-P energy: -85.547
tors. eta vs tors. theta energy: -197.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -2116.149913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.149913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.149913 (E_RNA)
where:
Base-Base interactions energy: -1443.958
where: short stacking energy: -618.312
Base-Backbone interact. energy: 1.435
local terms energy: -673.627156
where:
bonds (distance) C4'-P energy: -127.044
bonds (distance) P-C4' energy: -129.287
flat angles C4'-P-C4' energy: -150.770
flat angles P-C4'-P energy: -101.229
tors. eta vs tors. theta energy: -165.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1859.242064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.242064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.242064 (E_RNA)
where:
Base-Base interactions energy: -1240.322
where: short stacking energy: -561.430
Base-Backbone interact. energy: -0.711
local terms energy: -618.208965
where:
bonds (distance) C4'-P energy: -134.752
bonds (distance) P-C4' energy: -131.017
flat angles C4'-P-C4' energy: -134.040
flat angles P-C4'-P energy: -84.696
tors. eta vs tors. theta energy: -133.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1623.847830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.847830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.847830 (E_RNA)
where:
Base-Base interactions energy: -1065.929
where: short stacking energy: -451.981
Base-Backbone interact. energy: -2.261
local terms energy: -555.657909
where:
bonds (distance) C4'-P energy: -147.538
bonds (distance) P-C4' energy: -123.606
flat angles C4'-P-C4' energy: -122.905
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -104.466
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: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1307.788505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.788505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.788505 (E_RNA)
where:
Base-Base interactions energy: -800.621
where: short stacking energy: -360.963
Base-Backbone interact. energy: 1.481
local terms energy: -508.648681
where:
bonds (distance) C4'-P energy: -109.766
bonds (distance) P-C4' energy: -121.485
flat angles C4'-P-C4' energy: -136.919
flat angles P-C4'-P energy: -84.105
tors. eta vs tors. theta energy: -56.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1077.110819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.110819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.110819 (E_RNA)
where:
Base-Base interactions energy: -619.827
where: short stacking energy: -303.415
Base-Backbone interact. energy: 2.271
local terms energy: -459.555658
where:
bonds (distance) C4'-P energy: -113.815
bonds (distance) P-C4' energy: -135.627
flat angles C4'-P-C4' energy: -117.706
flat angles P-C4'-P energy: -49.105
tors. eta vs tors. theta energy: -43.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -651.822482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.822482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.822482 (E_RNA)
where:
Base-Base interactions energy: -245.186
where: short stacking energy: -152.318
Base-Backbone interact. energy: -2.825
local terms energy: -403.811328
where:
bonds (distance) C4'-P energy: -122.911
bonds (distance) P-C4' energy: -134.860
flat angles C4'-P-C4' energy: -96.486
flat angles P-C4'-P energy: -84.773
tors. eta vs tors. theta energy: 35.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2686.935549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2686.935549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2686.935549 (E_RNA)
where:
Base-Base interactions energy: -1847.373
where: short stacking energy: -809.109
Base-Backbone interact. energy: -4.527
local terms energy: -835.035109
where:
bonds (distance) C4'-P energy: -148.954
bonds (distance) P-C4' energy: -151.661
flat angles C4'-P-C4' energy: -171.632
flat angles P-C4'-P energy: -119.611
tors. eta vs tors. theta energy: -243.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2575.617153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2575.617153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2575.617153 (E_RNA)
where:
Base-Base interactions energy: -1775.729
where: short stacking energy: -712.484
Base-Backbone interact. energy: -1.469
local terms energy: -798.419073
where:
bonds (distance) C4'-P energy: -145.779
bonds (distance) P-C4' energy: -151.077
flat angles C4'-P-C4' energy: -172.643
flat angles P-C4'-P energy: -111.855
tors. eta vs tors. theta energy: -217.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -2502.349548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2502.349548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2502.349548 (E_RNA)
where:
Base-Base interactions energy: -1709.110
where: short stacking energy: -739.279
Base-Backbone interact. energy: -2.718
local terms energy: -790.521794
where:
bonds (distance) C4'-P energy: -145.394
bonds (distance) P-C4' energy: -140.674
flat angles C4'-P-C4' energy: -158.016
flat angles P-C4'-P energy: -117.298
tors. eta vs tors. theta energy: -229.139
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: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -2328.110370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.110370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.110370 (E_RNA)
where:
Base-Base interactions energy: -1597.922
where: short stacking energy: -680.328
Base-Backbone interact. energy: -1.471
local terms energy: -728.717308
where:
bonds (distance) C4'-P energy: -134.414
bonds (distance) P-C4' energy: -124.834
flat angles C4'-P-C4' energy: -164.867
flat angles P-C4'-P energy: -107.592
tors. eta vs tors. theta energy: -197.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -2136.690230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.690230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.690230 (E_RNA)
where:
Base-Base interactions energy: -1446.593
where: short stacking energy: -601.444
Base-Backbone interact. energy: -2.241
local terms energy: -687.856745
where:
bonds (distance) C4'-P energy: -142.757
bonds (distance) P-C4' energy: -131.858
flat angles C4'-P-C4' energy: -144.795
flat angles P-C4'-P energy: -98.166
tors. eta vs tors. theta energy: -170.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1875.523075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.523075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.523075 (E_RNA)
where:
Base-Base interactions energy: -1238.865
where: short stacking energy: -532.041
Base-Backbone interact. energy: 0.017
local terms energy: -636.675847
where:
bonds (distance) C4'-P energy: -126.324
bonds (distance) P-C4' energy: -141.147
flat angles C4'-P-C4' energy: -137.954
flat angles P-C4'-P energy: -88.850
tors. eta vs tors. theta energy: -142.401
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: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1383.550650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.550650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.550650 (E_RNA)
where:
Base-Base interactions energy: -822.039
where: short stacking energy: -382.731
Base-Backbone interact. energy: -0.431
local terms energy: -561.080332
where:
bonds (distance) C4'-P energy: -142.163
bonds (distance) P-C4' energy: -126.735
flat angles C4'-P-C4' energy: -139.688
flat angles P-C4'-P energy: -79.942
tors. eta vs tors. theta energy: -72.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1455.135013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.135013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.135013 (E_RNA)
where:
Base-Base interactions energy: -917.092
where: short stacking energy: -419.714
Base-Backbone interact. energy: -1.569
local terms energy: -536.473752
where:
bonds (distance) C4'-P energy: -120.891
bonds (distance) P-C4' energy: -119.373
flat angles C4'-P-C4' energy: -124.816
flat angles P-C4'-P energy: -72.252
tors. eta vs tors. theta energy: -99.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1134.919465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.919465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.919465 (E_RNA)
where:
Base-Base interactions energy: -699.052
where: short stacking energy: -300.191
Base-Backbone interact. energy: -1.631
local terms energy: -434.236013
where:
bonds (distance) C4'-P energy: -105.530
bonds (distance) P-C4' energy: -119.529
flat angles C4'-P-C4' energy: -109.907
flat angles P-C4'-P energy: -76.549
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -660.849848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.849848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.849848 (E_RNA)
where:
Base-Base interactions energy: -272.759
where: short stacking energy: -177.363
Base-Backbone interact. energy: -4.067
local terms energy: -384.023968
where:
bonds (distance) C4'-P energy: -110.826
bonds (distance) P-C4' energy: -126.731
flat angles C4'-P-C4' energy: -111.307
flat angles P-C4'-P energy: -49.823
tors. eta vs tors. theta energy: 14.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2665.731205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.731205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.731205 (E_RNA)
where:
Base-Base interactions energy: -1850.286
where: short stacking energy: -783.215
Base-Backbone interact. energy: -2.000
local terms energy: -813.445182
where:
bonds (distance) C4'-P energy: -156.966
bonds (distance) P-C4' energy: -143.268
flat angles C4'-P-C4' energy: -171.138
flat angles P-C4'-P energy: -102.542
tors. eta vs tors. theta energy: -239.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2591.520453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2591.520453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2591.520453 (E_RNA)
where:
Base-Base interactions energy: -1788.748
where: short stacking energy: -715.395
Base-Backbone interact. energy: -0.545
local terms energy: -802.227737
where:
bonds (distance) C4'-P energy: -142.573
bonds (distance) P-C4' energy: -152.537
flat angles C4'-P-C4' energy: -168.848
flat angles P-C4'-P energy: -121.781
tors. eta vs tors. theta energy: -216.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -2512.594031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2512.594031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2512.594031 (E_RNA)
where:
Base-Base interactions energy: -1716.162
where: short stacking energy: -729.161
Base-Backbone interact. energy: -2.433
local terms energy: -793.999471
where:
bonds (distance) C4'-P energy: -151.639
bonds (distance) P-C4' energy: -151.076
flat angles C4'-P-C4' energy: -150.805
flat angles P-C4'-P energy: -103.618
tors. eta vs tors. theta energy: -236.862
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: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -2345.426425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.426425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.426425 (E_RNA)
where:
Base-Base interactions energy: -1592.877
where: short stacking energy: -636.698
Base-Backbone interact. energy: -3.679
local terms energy: -748.870145
where:
bonds (distance) C4'-P energy: -147.046
bonds (distance) P-C4' energy: -143.032
flat angles C4'-P-C4' energy: -162.798
flat angles P-C4'-P energy: -108.821
tors. eta vs tors. theta energy: -187.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -2168.062949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2168.062949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2168.062949 (E_RNA)
where:
Base-Base interactions energy: -1482.841
where: short stacking energy: -610.873
Base-Backbone interact. energy: -0.831
local terms energy: -684.391269
where:
bonds (distance) C4'-P energy: -113.962
bonds (distance) P-C4' energy: -138.112
flat angles C4'-P-C4' energy: -146.966
flat angles P-C4'-P energy: -105.000
tors. eta vs tors. theta energy: -180.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1877.623504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.623504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.623504 (E_RNA)
where:
Base-Base interactions energy: -1231.917
where: short stacking energy: -546.154
Base-Backbone interact. energy: -3.240
local terms energy: -642.466143
where:
bonds (distance) C4'-P energy: -129.549
bonds (distance) P-C4' energy: -148.336
flat angles C4'-P-C4' energy: -150.699
flat angles P-C4'-P energy: -69.679
tors. eta vs tors. theta energy: -144.203
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: 4
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1398.249581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.249581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.249581 (E_RNA)
where:
Base-Base interactions energy: -867.636
where: short stacking energy: -405.686
Base-Backbone interact. energy: 1.463
local terms energy: -532.077252
where:
bonds (distance) C4'-P energy: -131.673
bonds (distance) P-C4' energy: -128.125
flat angles C4'-P-C4' energy: -118.606
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -73.582
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: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1460.445072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.445072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.445072 (E_RNA)
where:
Base-Base interactions energy: -911.119
where: short stacking energy: -406.924
Base-Backbone interact. energy: -1.703
local terms energy: -547.623896
where:
bonds (distance) C4'-P energy: -124.022
bonds (distance) P-C4' energy: -115.829
flat angles C4'-P-C4' energy: -127.182
flat angles P-C4'-P energy: -86.359
tors. eta vs tors. theta energy: -94.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1137.045394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.045394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.045394 (E_RNA)
where:
Base-Base interactions energy: -671.677
where: short stacking energy: -289.216
Base-Backbone interact. energy: 6.508
local terms energy: -471.877062
where:
bonds (distance) C4'-P energy: -102.093
bonds (distance) P-C4' energy: -116.026
flat angles C4'-P-C4' energy: -128.649
flat angles P-C4'-P energy: -82.960
tors. eta vs tors. theta energy: -42.149
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: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -667.654263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.654263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.654263 (E_RNA)
where:
Base-Base interactions energy: -274.552
where: short stacking energy: -181.901
Base-Backbone interact. energy: 3.032
local terms energy: -396.133981
where:
bonds (distance) C4'-P energy: -126.827
bonds (distance) P-C4' energy: -135.814
flat angles C4'-P-C4' energy: -98.191
flat angles P-C4'-P energy: -42.611
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: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2677.352703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.352703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.352703 (E_RNA)
where:
Base-Base interactions energy: -1865.532
where: short stacking energy: -745.623
Base-Backbone interact. energy: -2.739
local terms energy: -809.082428
where:
bonds (distance) C4'-P energy: -150.076
bonds (distance) P-C4' energy: -143.030
flat angles C4'-P-C4' energy: -177.643
flat angles P-C4'-P energy: -116.551
tors. eta vs tors. theta energy: -221.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2602.611962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2602.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2602.611962 (E_RNA)
where:
Base-Base interactions energy: -1796.237
where: short stacking energy: -745.901
Base-Backbone interact. energy: -4.680
local terms energy: -801.694571
where:
bonds (distance) C4'-P energy: -149.675
bonds (distance) P-C4' energy: -145.990
flat angles C4'-P-C4' energy: -173.699
flat angles P-C4'-P energy: -98.267
tors. eta vs tors. theta energy: -234.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -2555.010009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2555.010009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2555.010009 (E_RNA)
where:
Base-Base interactions energy: -1760.368
where: short stacking energy: -730.105
Base-Backbone interact. energy: -0.814
local terms energy: -793.827292
where:
bonds (distance) C4'-P energy: -129.015
bonds (distance) P-C4' energy: -143.304
flat angles C4'-P-C4' energy: -175.549
flat angles P-C4'-P energy: -112.205
tors. eta vs tors. theta energy: -233.755
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: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -2310.503800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2310.503800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2310.503800 (E_RNA)
where:
Base-Base interactions energy: -1585.414
where: short stacking energy: -649.051
Base-Backbone interact. energy: -0.507
local terms energy: -724.583475
where:
bonds (distance) C4'-P energy: -149.761
bonds (distance) P-C4' energy: -134.668
flat angles C4'-P-C4' energy: -165.140
flat angles P-C4'-P energy: -91.322
tors. eta vs tors. theta energy: -183.692
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: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -2147.675298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.675298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.675298 (E_RNA)
where:
Base-Base interactions energy: -1470.572
where: short stacking energy: -603.914
Base-Backbone interact. energy: -1.994
local terms energy: -675.109037
where:
bonds (distance) C4'-P energy: -119.003
bonds (distance) P-C4' energy: -144.411
flat angles C4'-P-C4' energy: -154.489
flat angles P-C4'-P energy: -76.830
tors. eta vs tors. theta energy: -180.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1848.070474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.070474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.070474 (E_RNA)
where:
Base-Base interactions energy: -1194.783
where: short stacking energy: -552.335
Base-Backbone interact. energy: -1.887
local terms energy: -651.399954
where:
bonds (distance) C4'-P energy: -147.433
bonds (distance) P-C4' energy: -132.622
flat angles C4'-P-C4' energy: -139.117
flat angles P-C4'-P energy: -94.734
tors. eta vs tors. theta energy: -137.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1534.957874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.957874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.957874 (E_RNA)
where:
Base-Base interactions energy: -943.971
where: short stacking energy: -453.309
Base-Backbone interact. energy: -1.528
local terms energy: -589.458843
where:
bonds (distance) C4'-P energy: -135.560
bonds (distance) P-C4' energy: -135.199
flat angles C4'-P-C4' energy: -127.755
flat angles P-C4'-P energy: -89.902
tors. eta vs tors. theta energy: -101.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1313.253623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.253623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.253623 (E_RNA)
where:
Base-Base interactions energy: -824.306
where: short stacking energy: -365.534
Base-Backbone interact. energy: 4.901
local terms energy: -493.848359
where:
bonds (distance) C4'-P energy: -126.873
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -119.545
flat angles P-C4'-P energy: -56.160
tors. eta vs tors. theta energy: -62.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1115.286358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.286358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.286358 (E_RNA)
where:
Base-Base interactions energy: -612.000
where: short stacking energy: -286.858
Base-Backbone interact. energy: 5.196
local terms energy: -508.482158
where:
bonds (distance) C4'-P energy: -112.719
bonds (distance) P-C4' energy: -141.783
flat angles C4'-P-C4' energy: -123.489
flat angles P-C4'-P energy: -84.991
tors. eta vs tors. theta energy: -45.501
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: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -687.269617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.269617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.269617 (E_RNA)
where:
Base-Base interactions energy: -257.686
where: short stacking energy: -181.782
Base-Backbone interact. energy: -2.746
local terms energy: -426.837872
where:
bonds (distance) C4'-P energy: -109.716
bonds (distance) P-C4' energy: -122.992
flat angles C4'-P-C4' energy: -115.160
flat angles P-C4'-P energy: -84.946
tors. eta vs tors. theta energy: 5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2681.510518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2681.510518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2681.510518 (E_RNA)
where:
Base-Base interactions energy: -1855.249
where: short stacking energy: -752.331
Base-Backbone interact. energy: -4.293
local terms energy: -821.968458
where:
bonds (distance) C4'-P energy: -143.121
bonds (distance) P-C4' energy: -163.715
flat angles C4'-P-C4' energy: -171.829
flat angles P-C4'-P energy: -111.039
tors. eta vs tors. theta energy: -232.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -2593.317431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2593.317431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2593.317431 (E_RNA)
where:
Base-Base interactions energy: -1790.692
where: short stacking energy: -748.919
Base-Backbone interact. energy: -0.110
local terms energy: -802.515721
where:
bonds (distance) C4'-P energy: -151.445
bonds (distance) P-C4' energy: -143.582
flat angles C4'-P-C4' energy: -165.225
flat angles P-C4'-P energy: -112.346
tors. eta vs tors. theta energy: -229.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -2557.246990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2557.246990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2557.246990 (E_RNA)
where:
Base-Base interactions energy: -1765.988
where: short stacking energy: -724.936
Base-Backbone interact. energy: -2.404
local terms energy: -788.855530
where:
bonds (distance) C4'-P energy: -135.720
bonds (distance) P-C4' energy: -131.875
flat angles C4'-P-C4' energy: -179.398
flat angles P-C4'-P energy: -106.735
tors. eta vs tors. theta energy: -235.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -2293.524559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2293.524559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2293.524559 (E_RNA)
where:
Base-Base interactions energy: -1586.926
where: short stacking energy: -634.420
Base-Backbone interact. energy: -3.543
local terms energy: -703.055398
where:
bonds (distance) C4'-P energy: -142.110
bonds (distance) P-C4' energy: -120.136
flat angles C4'-P-C4' energy: -146.586
flat angles P-C4'-P energy: -109.253
tors. eta vs tors. theta energy: -184.971
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: 3
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -2157.625349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2157.625349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2157.625349 (E_RNA)
where:
Base-Base interactions energy: -1468.606
where: short stacking energy: -606.736
Base-Backbone interact. energy: -2.419
local terms energy: -686.600665
where:
bonds (distance) C4'-P energy: -132.896
bonds (distance) P-C4' energy: -114.581
flat angles C4'-P-C4' energy: -159.752
flat angles P-C4'-P energy: -101.798
tors. eta vs tors. theta energy: -177.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1902.213725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.213725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.213725 (E_RNA)
where:
Base-Base interactions energy: -1277.324
where: short stacking energy: -548.729
Base-Backbone interact. energy: -2.557
local terms energy: -622.332957
where:
bonds (distance) C4'-P energy: -124.623
bonds (distance) P-C4' energy: -132.125
flat angles C4'-P-C4' energy: -133.028
flat angles P-C4'-P energy: -87.214
tors. eta vs tors. theta energy: -145.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1559.964119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.964119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.964119 (E_RNA)
where:
Base-Base interactions energy: -992.477
where: short stacking energy: -419.191
Base-Backbone interact. energy: -2.303
local terms energy: -565.183949
where:
bonds (distance) C4'-P energy: -122.627
bonds (distance) P-C4' energy: -137.715
flat angles C4'-P-C4' energy: -131.103
flat angles P-C4'-P energy: -84.280
tors. eta vs tors. theta energy: -89.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1317.856771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.856771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.856771 (E_RNA)
where:
Base-Base interactions energy: -836.958
where: short stacking energy: -403.636
Base-Backbone interact. energy: -2.978
local terms energy: -477.920891
where:
bonds (distance) C4'-P energy: -115.607
bonds (distance) P-C4' energy: -122.449
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -66.200
tors. eta vs tors. theta energy: -72.118
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: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1042.209153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.209153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.209153 (E_RNA)
where:
Base-Base interactions energy: -562.031
where: short stacking energy: -272.700
Base-Backbone interact. energy: 2.598
local terms energy: -482.776476
where:
bonds (distance) C4'-P energy: -131.523
bonds (distance) P-C4' energy: -128.437
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -70.471
tors. eta vs tors. theta energy: -35.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -652.724952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.724952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.724952 (E_RNA)
where:
Base-Base interactions energy: -234.935
where: short stacking energy: -167.926
Base-Backbone interact. energy: 0.598
local terms energy: -418.387940
where:
bonds (distance) C4'-P energy: -128.175
bonds (distance) P-C4' energy: -137.342
flat angles C4'-P-C4' energy: -90.928
flat angles P-C4'-P energy: -61.689
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2694.924454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.924454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.924454 (E_RNA)
where:
Base-Base interactions energy: -1856.281
where: short stacking energy: -746.285
Base-Backbone interact. energy: -2.903
local terms energy: -835.740797
where:
bonds (distance) C4'-P energy: -159.718
bonds (distance) P-C4' energy: -158.348
flat angles C4'-P-C4' energy: -173.376
flat angles P-C4'-P energy: -113.549
tors. eta vs tors. theta energy: -230.750
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: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -2604.912433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2604.912433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2604.912433 (E_RNA)
where:
Base-Base interactions energy: -1791.124
where: short stacking energy: -755.843
Base-Backbone interact. energy: -2.791
local terms energy: -810.997139
where:
bonds (distance) C4'-P energy: -149.676
bonds (distance) P-C4' energy: -143.650
flat angles C4'-P-C4' energy: -169.315
flat angles P-C4'-P energy: -106.353
tors. eta vs tors. theta energy: -242.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -2493.280295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2493.280295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2493.280295 (E_RNA)
where:
Base-Base interactions energy: -1705.326
where: short stacking energy: -729.475
Base-Backbone interact. energy: 3.593
local terms energy: -791.547718
where:
bonds (distance) C4'-P energy: -134.086
bonds (distance) P-C4' energy: -150.582
flat angles C4'-P-C4' energy: -168.407
flat angles P-C4'-P energy: -108.821
tors. eta vs tors. theta energy: -229.653
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: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -2244.913263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2244.913263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2244.913263 (E_RNA)
where:
Base-Base interactions energy: -1552.753
where: short stacking energy: -621.840
Base-Backbone interact. energy: -1.676
local terms energy: -690.484798
where:
bonds (distance) C4'-P energy: -136.494
bonds (distance) P-C4' energy: -134.929
flat angles C4'-P-C4' energy: -145.209
flat angles P-C4'-P energy: -98.684
tors. eta vs tors. theta energy: -175.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -2170.758727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2170.758727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2170.758727 (E_RNA)
where:
Base-Base interactions energy: -1444.030
where: short stacking energy: -631.108
Base-Backbone interact. energy: -2.608
local terms energy: -724.120094
where:
bonds (distance) C4'-P energy: -128.170
bonds (distance) P-C4' energy: -143.910
flat angles C4'-P-C4' energy: -160.756
flat angles P-C4'-P energy: -98.755
tors. eta vs tors. theta energy: -192.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1810.151648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.151648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.151648 (E_RNA)
where:
Base-Base interactions energy: -1204.347
where: short stacking energy: -519.936
Base-Backbone interact. energy: 3.735
local terms energy: -609.539542
where:
bonds (distance) C4'-P energy: -124.755
bonds (distance) P-C4' energy: -135.175
flat angles C4'-P-C4' energy: -138.297
flat angles P-C4'-P energy: -77.733
tors. eta vs tors. theta energy: -133.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1589.008489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.008489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.008489 (E_RNA)
where:
Base-Base interactions energy: -997.715
where: short stacking energy: -450.703
Base-Backbone interact. energy: 2.759
local terms energy: -594.051849
where:
bonds (distance) C4'-P energy: -125.851
bonds (distance) P-C4' energy: -125.678
flat angles C4'-P-C4' energy: -146.149
flat angles P-C4'-P energy: -88.978
tors. eta vs tors. theta energy: -107.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -1303.216878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.216878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.216878 (E_RNA)
where:
Base-Base interactions energy: -775.837
where: short stacking energy: -373.426
Base-Backbone interact. energy: -3.459
local terms energy: -523.920470
where:
bonds (distance) C4'-P energy: -129.350
bonds (distance) P-C4' energy: -117.565
flat angles C4'-P-C4' energy: -131.073
flat angles P-C4'-P energy: -83.292
tors. eta vs tors. theta energy: -62.641
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: 9, replica: 7
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1065.480411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.480411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.480411 (E_RNA)
where:
Base-Base interactions energy: -602.566
where: short stacking energy: -315.575
Base-Backbone interact. energy: 1.126
local terms energy: -464.040673
where:
bonds (distance) C4'-P energy: -133.148
bonds (distance) P-C4' energy: -120.024
flat angles C4'-P-C4' energy: -116.439
flat angles P-C4'-P energy: -60.331
tors. eta vs tors. theta energy: -34.098
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: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -650.253171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.253171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.253171 (E_RNA)
where:
Base-Base interactions energy: -258.047
where: short stacking energy: -149.612
Base-Backbone interact. energy: -0.002
local terms energy: -392.203934
where:
bonds (distance) C4'-P energy: -116.196
bonds (distance) P-C4' energy: -120.993
flat angles C4'-P-C4' energy: -118.313
flat angles P-C4'-P energy: -60.213
tors. eta vs tors. theta energy: 23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2692.220211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.220211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.220211 (E_RNA)
where:
Base-Base interactions energy: -1869.914
where: short stacking energy: -755.455
Base-Backbone interact. energy: 0.066
local terms energy: -822.371560
where:
bonds (distance) C4'-P energy: -157.394
bonds (distance) P-C4' energy: -137.194
flat angles C4'-P-C4' energy: -181.292
flat angles P-C4'-P energy: -116.238
tors. eta vs tors. theta energy: -230.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2622.466888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.466888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.466888 (E_RNA)
where:
Base-Base interactions energy: -1800.215
where: short stacking energy: -762.770
Base-Backbone interact. energy: -0.835
local terms energy: -821.416229
where:
bonds (distance) C4'-P energy: -157.613
bonds (distance) P-C4' energy: -153.403
flat angles C4'-P-C4' energy: -163.584
flat angles P-C4'-P energy: -122.765
tors. eta vs tors. theta energy: -224.052
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: 447
Temperature: 1.000000
Total energy: -2514.694060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.694060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.694060 (E_RNA)
where:
Base-Base interactions energy: -1711.551
where: short stacking energy: -735.184
Base-Backbone interact. energy: -2.992
local terms energy: -800.151458
where:
bonds (distance) C4'-P energy: -148.970
bonds (distance) P-C4' energy: -148.357
flat angles C4'-P-C4' energy: -172.082
flat angles P-C4'-P energy: -102.318
tors. eta vs tors. theta energy: -228.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -2289.986788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2289.986788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2289.986788 (E_RNA)
where:
Base-Base interactions energy: -1577.445
where: short stacking energy: -644.043
Base-Backbone interact. energy: 0.137
local terms energy: -712.678521
where:
bonds (distance) C4'-P energy: -132.598
bonds (distance) P-C4' energy: -146.212
flat angles C4'-P-C4' energy: -143.101
flat angles P-C4'-P energy: -103.553
tors. eta vs tors. theta energy: -187.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -2135.908373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2135.908373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2135.908373 (E_RNA)
where:
Base-Base interactions energy: -1429.146
where: short stacking energy: -593.074
Base-Backbone interact. energy: -1.569
local terms energy: -705.192735
where:
bonds (distance) C4'-P energy: -126.538
bonds (distance) P-C4' energy: -138.913
flat angles C4'-P-C4' energy: -163.974
flat angles P-C4'-P energy: -100.926
tors. eta vs tors. theta energy: -174.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1857.406305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.406305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.406305 (E_RNA)
where:
Base-Base interactions energy: -1254.046
where: short stacking energy: -514.909
Base-Backbone interact. energy: -3.417
local terms energy: -599.943999
where:
bonds (distance) C4'-P energy: -128.437
bonds (distance) P-C4' energy: -104.730
flat angles C4'-P-C4' energy: -142.280
flat angles P-C4'-P energy: -90.774
tors. eta vs tors. theta energy: -133.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1563.463527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.463527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.463527 (E_RNA)
where:
Base-Base interactions energy: -986.668
where: short stacking energy: -429.662
Base-Backbone interact. energy: 0.015
local terms energy: -576.811178
where:
bonds (distance) C4'-P energy: -125.131
bonds (distance) P-C4' energy: -136.829
flat angles C4'-P-C4' energy: -119.189
flat angles P-C4'-P energy: -84.837
tors. eta vs tors. theta energy: -110.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1297.737733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.737733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.737733 (E_RNA)
where:
Base-Base interactions energy: -786.778
where: short stacking energy: -358.141
Base-Backbone interact. energy: -2.248
local terms energy: -508.711782
where:
bonds (distance) C4'-P energy: -115.993
bonds (distance) P-C4' energy: -131.837
flat angles C4'-P-C4' energy: -124.225
flat angles P-C4'-P energy: -71.773
tors. eta vs tors. theta energy: -64.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -972.992791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.992791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.992791 (E_RNA)
where:
Base-Base interactions energy: -518.467
where: short stacking energy: -254.731
Base-Backbone interact. energy: 0.647
local terms energy: -455.172438
where:
bonds (distance) C4'-P energy: -122.938
bonds (distance) P-C4' energy: -130.716
flat angles C4'-P-C4' energy: -115.134
flat angles P-C4'-P energy: -73.606
tors. eta vs tors. theta energy: -12.779
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: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -652.818233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.818233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.818233 (E_RNA)
where:
Base-Base interactions energy: -287.883
where: short stacking energy: -172.391
Base-Backbone interact. energy: 0.770
local terms energy: -365.705657
where:
bonds (distance) C4'-P energy: -133.574
bonds (distance) P-C4' energy: -115.690
flat angles C4'-P-C4' energy: -79.754
flat angles P-C4'-P energy: -66.074
tors. eta vs tors. theta energy: 29.386
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: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2680.057210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.057210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.057210 (E_RNA)
where:
Base-Base interactions energy: -1862.518
where: short stacking energy: -756.744
Base-Backbone interact. energy: -4.194
local terms energy: -813.345596
where:
bonds (distance) C4'-P energy: -158.582
bonds (distance) P-C4' energy: -144.682
flat angles C4'-P-C4' energy: -168.347
flat angles P-C4'-P energy: -115.002
tors. eta vs tors. theta energy: -226.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2573.506702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2573.506702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2573.506702 (E_RNA)
where:
Base-Base interactions energy: -1755.178
where: short stacking energy: -745.829
Base-Backbone interact. energy: -4.306
local terms energy: -814.022760
where:
bonds (distance) C4'-P energy: -137.121
bonds (distance) P-C4' energy: -152.086
flat angles C4'-P-C4' energy: -164.079
flat angles P-C4'-P energy: -117.242
tors. eta vs tors. theta energy: -243.495
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: 3, replica: 5
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -2521.494681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2521.494681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2521.494681 (E_RNA)
where:
Base-Base interactions energy: -1722.698
where: short stacking energy: -735.480
Base-Backbone interact. energy: -0.504
local terms energy: -798.293261
where:
bonds (distance) C4'-P energy: -147.630
bonds (distance) P-C4' energy: -135.142
flat angles C4'-P-C4' energy: -177.945
flat angles P-C4'-P energy: -104.927
tors. eta vs tors. theta energy: -232.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -2288.032168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2288.032168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2288.032168 (E_RNA)
where:
Base-Base interactions energy: -1573.467
where: short stacking energy: -641.367
Base-Backbone interact. energy: -2.731
local terms energy: -711.833720
where:
bonds (distance) C4'-P energy: -133.883
bonds (distance) P-C4' energy: -142.305
flat angles C4'-P-C4' energy: -160.995
flat angles P-C4'-P energy: -97.572
tors. eta vs tors. theta energy: -177.079
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: 3
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -2147.381371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.381371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.381371 (E_RNA)
where:
Base-Base interactions energy: -1419.604
where: short stacking energy: -617.826
Base-Backbone interact. energy: 0.952
local terms energy: -728.729504
where:
bonds (distance) C4'-P energy: -136.567
bonds (distance) P-C4' energy: -126.256
flat angles C4'-P-C4' energy: -157.969
flat angles P-C4'-P energy: -108.106
tors. eta vs tors. theta energy: -199.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1862.095213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.095213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.095213 (E_RNA)
where:
Base-Base interactions energy: -1215.579
where: short stacking energy: -524.167
Base-Backbone interact. energy: 0.516
local terms energy: -647.032631
where:
bonds (distance) C4'-P energy: -123.466
bonds (distance) P-C4' energy: -132.104
flat angles C4'-P-C4' energy: -159.825
flat angles P-C4'-P energy: -92.226
tors. eta vs tors. theta energy: -139.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1609.982892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.982892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.982892 (E_RNA)
where:
Base-Base interactions energy: -1031.872
where: short stacking energy: -437.845
Base-Backbone interact. energy: -1.840
local terms energy: -576.271085
where:
bonds (distance) C4'-P energy: -122.018
bonds (distance) P-C4' energy: -127.028
flat angles C4'-P-C4' energy: -140.259
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: -114.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1316.213380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.213380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.213380 (E_RNA)
where:
Base-Base interactions energy: -812.111
where: short stacking energy: -371.645
Base-Backbone interact. energy: -3.411
local terms energy: -500.691738
where:
bonds (distance) C4'-P energy: -118.135
bonds (distance) P-C4' energy: -126.043
flat angles C4'-P-C4' energy: -132.354
flat angles P-C4'-P energy: -55.014
tors. eta vs tors. theta energy: -69.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1005.864700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.864700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.864700 (E_RNA)
where:
Base-Base interactions energy: -550.793
where: short stacking energy: -287.218
Base-Backbone interact. energy: 1.419
local terms energy: -456.490732
where:
bonds (distance) C4'-P energy: -126.057
bonds (distance) P-C4' energy: -147.640
flat angles C4'-P-C4' energy: -91.006
flat angles P-C4'-P energy: -65.435
tors. eta vs tors. theta energy: -26.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -680.440194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.440194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.440194 (E_RNA)
where:
Base-Base interactions energy: -270.885
where: short stacking energy: -158.835
Base-Backbone interact. energy: -0.522
local terms energy: -409.032780
where:
bonds (distance) C4'-P energy: -124.810
bonds (distance) P-C4' energy: -138.499
flat angles C4'-P-C4' energy: -104.862
flat angles P-C4'-P energy: -82.598
tors. eta vs tors. theta energy: 41.736
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: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -2677.545299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2677.545299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2677.545299 (E_RNA)
where:
Base-Base interactions energy: -1859.730
where: short stacking energy: -752.393
Base-Backbone interact. energy: -0.020
local terms energy: -817.795427
where:
bonds (distance) C4'-P energy: -143.863
bonds (distance) P-C4' energy: -145.362
flat angles C4'-P-C4' energy: -179.239
flat angles P-C4'-P energy: -109.945
tors. eta vs tors. theta energy: -239.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2606.556001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2606.556001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2606.556001 (E_RNA)
where:
Base-Base interactions energy: -1809.775
where: short stacking energy: -785.537
Base-Backbone interact. energy: 2.189
local terms energy: -798.969990
where:
bonds (distance) C4'-P energy: -134.123
bonds (distance) P-C4' energy: -149.488
flat angles C4'-P-C4' energy: -167.187
flat angles P-C4'-P energy: -106.358
tors. eta vs tors. theta energy: -241.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -2475.064092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2475.064092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2475.064092 (E_RNA)
where:
Base-Base interactions energy: -1719.052
where: short stacking energy: -754.143
Base-Backbone interact. energy: -4.897
local terms energy: -751.114934
where:
bonds (distance) C4'-P energy: -125.601
bonds (distance) P-C4' energy: -134.625
flat angles C4'-P-C4' energy: -171.031
flat angles P-C4'-P energy: -84.242
tors. eta vs tors. theta energy: -235.616
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: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -2313.300400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2313.300400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2313.300400 (E_RNA)
where:
Base-Base interactions energy: -1590.521
where: short stacking energy: -659.413
Base-Backbone interact. energy: 0.520
local terms energy: -723.299828
where:
bonds (distance) C4'-P energy: -124.595
bonds (distance) P-C4' energy: -140.535
flat angles C4'-P-C4' energy: -170.082
flat angles P-C4'-P energy: -97.109
tors. eta vs tors. theta energy: -190.980
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: 3
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -2137.555780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.555780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.555780 (E_RNA)
where:
Base-Base interactions energy: -1467.676
where: short stacking energy: -606.773
Base-Backbone interact. energy: 1.732
local terms energy: -671.611808
where:
bonds (distance) C4'-P energy: -128.407
bonds (distance) P-C4' energy: -139.321
flat angles C4'-P-C4' energy: -148.018
flat angles P-C4'-P energy: -85.793
tors. eta vs tors. theta energy: -170.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1860.689576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.689576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.689576 (E_RNA)
where:
Base-Base interactions energy: -1217.349
where: short stacking energy: -528.407
Base-Backbone interact. energy: 2.740
local terms energy: -646.080200
where:
bonds (distance) C4'-P energy: -141.237
bonds (distance) P-C4' energy: -123.275
flat angles C4'-P-C4' energy: -135.700
flat angles P-C4'-P energy: -102.674
tors. eta vs tors. theta energy: -143.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1564.524528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.524528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.524528 (E_RNA)
where:
Base-Base interactions energy: -975.605
where: short stacking energy: -453.449
Base-Backbone interact. energy: -3.069
local terms energy: -585.851259
where:
bonds (distance) C4'-P energy: -131.187
bonds (distance) P-C4' energy: -131.274
flat angles C4'-P-C4' energy: -113.364
flat angles P-C4'-P energy: -98.694
tors. eta vs tors. theta energy: -111.333
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: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1314.063291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.063291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.063291 (E_RNA)
where:
Base-Base interactions energy: -811.118
where: short stacking energy: -389.780
Base-Backbone interact. energy: -3.439
local terms energy: -499.506252
where:
bonds (distance) C4'-P energy: -127.812
bonds (distance) P-C4' energy: -127.200
flat angles C4'-P-C4' energy: -140.896
flat angles P-C4'-P energy: -51.297
tors. eta vs tors. theta energy: -52.302
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: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -965.929064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.929064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.929064 (E_RNA)
where:
Base-Base interactions energy: -541.936
where: short stacking energy: -268.564
Base-Backbone interact. energy: 8.428
local terms energy: -432.421374
where:
bonds (distance) C4'-P energy: -103.454
bonds (distance) P-C4' energy: -129.708
flat angles C4'-P-C4' energy: -109.627
flat angles P-C4'-P energy: -80.050
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -737.939485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.939485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.939485 (E_RNA)
where:
Base-Base interactions energy: -344.971
where: short stacking energy: -203.866
Base-Backbone interact. energy: 3.808
local terms energy: -396.776570
where:
bonds (distance) C4'-P energy: -119.084
bonds (distance) P-C4' energy: -118.989
flat angles C4'-P-C4' energy: -104.339
flat angles P-C4'-P energy: -59.793
tors. eta vs tors. theta energy: 5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2658.476948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2658.476948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2658.476948 (E_RNA)
where:
Base-Base interactions energy: -1819.807
where: short stacking energy: -740.862
Base-Backbone interact. energy: -1.569
local terms energy: -837.100854
where:
bonds (distance) C4'-P energy: -145.996
bonds (distance) P-C4' energy: -161.187
flat angles C4'-P-C4' energy: -181.399
flat angles P-C4'-P energy: -119.375
tors. eta vs tors. theta energy: -229.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2570.372415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2570.372415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2570.372415 (E_RNA)
where:
Base-Base interactions energy: -1778.814
where: short stacking energy: -759.277
Base-Backbone interact. energy: -1.110
local terms energy: -790.449238
where:
bonds (distance) C4'-P energy: -139.306
bonds (distance) P-C4' energy: -134.472
flat angles C4'-P-C4' energy: -180.101
flat angles P-C4'-P energy: -103.453
tors. eta vs tors. theta energy: -233.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -2500.271335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2500.271335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2500.271335 (E_RNA)
where:
Base-Base interactions energy: -1724.913
where: short stacking energy: -718.731
Base-Backbone interact. energy: 0.397
local terms energy: -775.754982
where:
bonds (distance) C4'-P energy: -147.144
bonds (distance) P-C4' energy: -141.092
flat angles C4'-P-C4' energy: -153.098
flat angles P-C4'-P energy: -115.396
tors. eta vs tors. theta energy: -219.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -2345.108871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2345.108871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2345.108871 (E_RNA)
where:
Base-Base interactions energy: -1598.783
where: short stacking energy: -640.409
Base-Backbone interact. energy: -2.658
local terms energy: -743.667461
where:
bonds (distance) C4'-P energy: -136.101
bonds (distance) P-C4' energy: -152.402
flat angles C4'-P-C4' energy: -160.220
flat angles P-C4'-P energy: -96.848
tors. eta vs tors. theta energy: -198.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -2237.101356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2237.101356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2237.101356 (E_RNA)
where:
Base-Base interactions energy: -1516.591
where: short stacking energy: -641.003
Base-Backbone interact. energy: -2.412
local terms energy: -718.097733
where:
bonds (distance) C4'-P energy: -142.742
bonds (distance) P-C4' energy: -139.475
flat angles C4'-P-C4' energy: -152.672
flat angles P-C4'-P energy: -92.358
tors. eta vs tors. theta energy: -190.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1922.983263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.983263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.983263 (E_RNA)
where:
Base-Base interactions energy: -1261.632
where: short stacking energy: -576.683
Base-Backbone interact. energy: 3.817
local terms energy: -665.168126
where:
bonds (distance) C4'-P energy: -124.216
bonds (distance) P-C4' energy: -129.192
flat angles C4'-P-C4' energy: -153.665
flat angles P-C4'-P energy: -102.699
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1553.468509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.468509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.468509 (E_RNA)
where:
Base-Base interactions energy: -971.329
where: short stacking energy: -449.705
Base-Backbone interact. energy: -1.768
local terms energy: -580.371697
where:
bonds (distance) C4'-P energy: -132.735
bonds (distance) P-C4' energy: -139.421
flat angles C4'-P-C4' energy: -122.891
flat angles P-C4'-P energy: -76.404
tors. eta vs tors. theta energy: -108.920
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: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1330.711430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.711430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.711430 (E_RNA)
where:
Base-Base interactions energy: -811.017
where: short stacking energy: -373.230
Base-Backbone interact. energy: -0.472
local terms energy: -519.222251
where:
bonds (distance) C4'-P energy: -123.194
bonds (distance) P-C4' energy: -127.011
flat angles C4'-P-C4' energy: -114.731
flat angles P-C4'-P energy: -80.517
tors. eta vs tors. theta energy: -73.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -952.919674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.919674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.919674 (E_RNA)
where:
Base-Base interactions energy: -507.352
where: short stacking energy: -251.250
Base-Backbone interact. energy: 1.975
local terms energy: -447.543206
where:
bonds (distance) C4'-P energy: -132.594
bonds (distance) P-C4' energy: -130.698
flat angles C4'-P-C4' energy: -136.034
flat angles P-C4'-P energy: -43.584
tors. eta vs tors. theta energy: -4.633
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: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -650.225292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.225292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.225292 (E_RNA)
where:
Base-Base interactions energy: -284.418
where: short stacking energy: -185.735
Base-Backbone interact. energy: 0.292
local terms energy: -366.100006
where:
bonds (distance) C4'-P energy: -106.303
bonds (distance) P-C4' energy: -131.971
flat angles C4'-P-C4' energy: -93.009
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: 28.138
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: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2652.491679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2652.491679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2652.491679 (E_RNA)
where:
Base-Base interactions energy: -1856.567
where: short stacking energy: -763.405
Base-Backbone interact. energy: -2.909
local terms energy: -793.015478
where:
bonds (distance) C4'-P energy: -132.114
bonds (distance) P-C4' energy: -137.073
flat angles C4'-P-C4' energy: -175.257
flat angles P-C4'-P energy: -119.321
tors. eta vs tors. theta energy: -229.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -2566.477458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2566.477458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2566.477458 (E_RNA)
where:
Base-Base interactions energy: -1761.890
where: short stacking energy: -760.720
Base-Backbone interact. energy: -2.190
local terms energy: -802.397746
where:
bonds (distance) C4'-P energy: -148.849
bonds (distance) P-C4' energy: -155.330
flat angles C4'-P-C4' energy: -165.491
flat angles P-C4'-P energy: -110.601
tors. eta vs tors. theta energy: -222.126
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: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2506.529507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2506.529507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2506.529507 (E_RNA)
where:
Base-Base interactions energy: -1714.771
where: short stacking energy: -735.270
Base-Backbone interact. energy: -2.692
local terms energy: -789.066555
where:
bonds (distance) C4'-P energy: -138.653
bonds (distance) P-C4' energy: -145.192
flat angles C4'-P-C4' energy: -169.801
flat angles P-C4'-P energy: -109.426
tors. eta vs tors. theta energy: -225.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -2335.266694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2335.266694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2335.266694 (E_RNA)
where:
Base-Base interactions energy: -1612.156
where: short stacking energy: -667.467
Base-Backbone interact. energy: -3.521
local terms energy: -719.589528
where:
bonds (distance) C4'-P energy: -134.628
bonds (distance) P-C4' energy: -124.835
flat angles C4'-P-C4' energy: -152.296
flat angles P-C4'-P energy: -97.164
tors. eta vs tors. theta energy: -210.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -2205.552342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2205.552342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2205.552342 (E_RNA)
where:
Base-Base interactions energy: -1506.937
where: short stacking energy: -630.566
Base-Backbone interact. energy: 2.953
local terms energy: -701.568499
where:
bonds (distance) C4'-P energy: -140.679
bonds (distance) P-C4' energy: -129.643
flat angles C4'-P-C4' energy: -148.732
flat angles P-C4'-P energy: -85.434
tors. eta vs tors. theta energy: -197.080
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: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1933.126310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.126310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.126310 (E_RNA)
where:
Base-Base interactions energy: -1235.430
where: short stacking energy: -552.982
Base-Backbone interact. energy: -3.281
local terms energy: -694.415315
where:
bonds (distance) C4'-P energy: -117.447
bonds (distance) P-C4' energy: -159.112
flat angles C4'-P-C4' energy: -151.570
flat angles P-C4'-P energy: -98.069
tors. eta vs tors. theta energy: -168.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1559.355500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.355500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.355500 (E_RNA)
where:
Base-Base interactions energy: -957.290
where: short stacking energy: -432.997
Base-Backbone interact. energy: -0.043
local terms energy: -602.022157
where:
bonds (distance) C4'-P energy: -137.986
bonds (distance) P-C4' energy: -141.280
flat angles C4'-P-C4' energy: -144.152
flat angles P-C4'-P energy: -84.314
tors. eta vs tors. theta energy: -94.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1370.366072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.366072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.366072 (E_RNA)
where:
Base-Base interactions energy: -877.425
where: short stacking energy: -388.440
Base-Backbone interact. energy: 0.225
local terms energy: -493.166586
where:
bonds (distance) C4'-P energy: -112.046
bonds (distance) P-C4' energy: -104.788
flat angles C4'-P-C4' energy: -127.215
flat angles P-C4'-P energy: -71.271
tors. eta vs tors. theta energy: -77.847
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: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1010.576572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.576572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.576572 (E_RNA)
where:
Base-Base interactions energy: -549.672
where: short stacking energy: -309.283
Base-Backbone interact. energy: 1.580
local terms energy: -462.483923
where:
bonds (distance) C4'-P energy: -136.210
bonds (distance) P-C4' energy: -110.608
flat angles C4'-P-C4' energy: -105.642
flat angles P-C4'-P energy: -59.163
tors. eta vs tors. theta energy: -50.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -653.498120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.498120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.498120 (E_RNA)
where:
Base-Base interactions energy: -258.634
where: short stacking energy: -203.881
Base-Backbone interact. energy: -2.226
local terms energy: -392.637696
where:
bonds (distance) C4'-P energy: -120.321
bonds (distance) P-C4' energy: -112.988
flat angles C4'-P-C4' energy: -106.705
flat angles P-C4'-P energy: -59.919
tors. eta vs tors. theta energy: 7.295
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: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2625.565346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2625.565346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2625.565346 (E_RNA)
where:
Base-Base interactions energy: -1813.453
where: short stacking energy: -741.204
Base-Backbone interact. energy: -0.971
local terms energy: -811.141151
where:
bonds (distance) C4'-P energy: -144.146
bonds (distance) P-C4' energy: -165.230
flat angles C4'-P-C4' energy: -176.507
flat angles P-C4'-P energy: -106.869
tors. eta vs tors. theta energy: -218.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -2565.473487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.473487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.473487 (E_RNA)
where:
Base-Base interactions energy: -1779.220
where: short stacking energy: -746.377
Base-Backbone interact. energy: -4.362
local terms energy: -781.891513
where:
bonds (distance) C4'-P energy: -137.312
bonds (distance) P-C4' energy: -146.369
flat angles C4'-P-C4' energy: -173.268
flat angles P-C4'-P energy: -105.216
tors. eta vs tors. theta energy: -219.726
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2522.375472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.375472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.375472 (E_RNA)
where:
Base-Base interactions energy: -1739.007
where: short stacking energy: -748.607
Base-Backbone interact. energy: 0.201
local terms energy: -783.568742
where:
bonds (distance) C4'-P energy: -145.039
bonds (distance) P-C4' energy: -125.267
flat angles C4'-P-C4' energy: -171.478
flat angles P-C4'-P energy: -106.777
tors. eta vs tors. theta energy: -235.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -2348.286253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2348.286253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2348.286253 (E_RNA)
where:
Base-Base interactions energy: -1631.573
where: short stacking energy: -699.811
Base-Backbone interact. energy: -1.726
local terms energy: -714.986860
where:
bonds (distance) C4'-P energy: -136.248
bonds (distance) P-C4' energy: -128.689
flat angles C4'-P-C4' energy: -158.265
flat angles P-C4'-P energy: -97.742
tors. eta vs tors. theta energy: -194.043
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: 3
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -2213.022452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2213.022452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2213.022452 (E_RNA)
where:
Base-Base interactions energy: -1490.201
where: short stacking energy: -603.995
Base-Backbone interact. energy: -0.027
local terms energy: -722.795105
where:
bonds (distance) C4'-P energy: -140.578
bonds (distance) P-C4' energy: -150.666
flat angles C4'-P-C4' energy: -154.690
flat angles P-C4'-P energy: -87.236
tors. eta vs tors. theta energy: -189.625
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: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1880.919332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.919332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.919332 (E_RNA)
where:
Base-Base interactions energy: -1233.604
where: short stacking energy: -562.135
Base-Backbone interact. energy: -1.941
local terms energy: -645.374914
where:
bonds (distance) C4'-P energy: -128.650
bonds (distance) P-C4' energy: -118.100
flat angles C4'-P-C4' energy: -140.421
flat angles P-C4'-P energy: -102.944
tors. eta vs tors. theta energy: -155.261
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: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1543.644346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.644346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.644346 (E_RNA)
where:
Base-Base interactions energy: -994.772
where: short stacking energy: -442.989
Base-Backbone interact. energy: -2.500
local terms energy: -546.373125
where:
bonds (distance) C4'-P energy: -105.436
bonds (distance) P-C4' energy: -151.412
flat angles C4'-P-C4' energy: -119.988
flat angles P-C4'-P energy: -76.832
tors. eta vs tors. theta energy: -92.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1410.123112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.123112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.123112 (E_RNA)
where:
Base-Base interactions energy: -879.874
where: short stacking energy: -423.422
Base-Backbone interact. energy: 3.198
local terms energy: -533.447356
where:
bonds (distance) C4'-P energy: -113.833
bonds (distance) P-C4' energy: -124.714
flat angles C4'-P-C4' energy: -124.868
flat angles P-C4'-P energy: -81.914
tors. eta vs tors. theta energy: -88.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1012.266643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.266643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.266643 (E_RNA)
where:
Base-Base interactions energy: -585.043
where: short stacking energy: -289.209
Base-Backbone interact. energy: 0.340
local terms energy: -427.563407
where:
bonds (distance) C4'-P energy: -123.648
bonds (distance) P-C4' energy: -107.314
flat angles C4'-P-C4' energy: -92.581
flat angles P-C4'-P energy: -66.766
tors. eta vs tors. theta energy: -37.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -640.154552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.154552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.154552 (E_RNA)
where:
Base-Base interactions energy: -245.781
where: short stacking energy: -172.890
Base-Backbone interact. energy: 4.699
local terms energy: -399.073165
where:
bonds (distance) C4'-P energy: -117.196
bonds (distance) P-C4' energy: -133.978
flat angles C4'-P-C4' energy: -108.460
flat angles P-C4'-P energy: -67.858
tors. eta vs tors. theta energy: 28.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2664.220309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.220309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.220309 (E_RNA)
where:
Base-Base interactions energy: -1871.368
where: short stacking energy: -744.249
Base-Backbone interact. energy: -4.125
local terms energy: -788.726626
where:
bonds (distance) C4'-P energy: -145.535
bonds (distance) P-C4' energy: -160.252
flat angles C4'-P-C4' energy: -167.738
flat angles P-C4'-P energy: -90.867
tors. eta vs tors. theta energy: -224.335
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: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2580.219294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.219294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.219294 (E_RNA)
where:
Base-Base interactions energy: -1773.835
where: short stacking energy: -739.563
Base-Backbone interact. energy: -0.028
local terms energy: -806.357033
where:
bonds (distance) C4'-P energy: -149.489
bonds (distance) P-C4' energy: -154.274
flat angles C4'-P-C4' energy: -166.846
flat angles P-C4'-P energy: -105.696
tors. eta vs tors. theta energy: -230.052
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: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -2501.792916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.792916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.792916 (E_RNA)
where:
Base-Base interactions energy: -1717.626
where: short stacking energy: -740.220
Base-Backbone interact. energy: -3.521
local terms energy: -780.646153
where:
bonds (distance) C4'-P energy: -147.292
bonds (distance) P-C4' energy: -147.213
flat angles C4'-P-C4' energy: -157.468
flat angles P-C4'-P energy: -94.373
tors. eta vs tors. theta energy: -234.300
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: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -2331.778259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2331.778259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2331.778259 (E_RNA)
where:
Base-Base interactions energy: -1602.239
where: short stacking energy: -650.100
Base-Backbone interact. energy: -5.517
local terms energy: -724.021688
where:
bonds (distance) C4'-P energy: -120.737
bonds (distance) P-C4' energy: -139.777
flat angles C4'-P-C4' energy: -160.417
flat angles P-C4'-P energy: -108.094
tors. eta vs tors. theta energy: -194.996
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: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -2178.768430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2178.768430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2178.768430 (E_RNA)
where:
Base-Base interactions energy: -1458.323
where: short stacking energy: -623.169
Base-Backbone interact. energy: 0.842
local terms energy: -721.287142
where:
bonds (distance) C4'-P energy: -148.575
bonds (distance) P-C4' energy: -147.716
flat angles C4'-P-C4' energy: -151.261
flat angles P-C4'-P energy: -88.058
tors. eta vs tors. theta energy: -185.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1884.561557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.561557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.561557 (E_RNA)
where:
Base-Base interactions energy: -1210.100
where: short stacking energy: -539.968
Base-Backbone interact. energy: -2.525
local terms energy: -671.936064
where:
bonds (distance) C4'-P energy: -130.628
bonds (distance) P-C4' energy: -134.258
flat angles C4'-P-C4' energy: -154.406
flat angles P-C4'-P energy: -96.446
tors. eta vs tors. theta energy: -156.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1555.732900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.732900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.732900 (E_RNA)
where:
Base-Base interactions energy: -994.167
where: short stacking energy: -437.042
Base-Backbone interact. energy: -3.010
local terms energy: -558.556341
where:
bonds (distance) C4'-P energy: -121.631
bonds (distance) P-C4' energy: -132.892
flat angles C4'-P-C4' energy: -120.069
flat angles P-C4'-P energy: -91.537
tors. eta vs tors. theta energy: -92.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1406.486893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.486893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.486893 (E_RNA)
where:
Base-Base interactions energy: -859.104
where: short stacking energy: -426.448
Base-Backbone interact. energy: -1.974
local terms energy: -545.409684
where:
bonds (distance) C4'-P energy: -138.784
bonds (distance) P-C4' energy: -117.508
flat angles C4'-P-C4' energy: -132.695
flat angles P-C4'-P energy: -70.843
tors. eta vs tors. theta energy: -85.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1012.642148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.642148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.642148 (E_RNA)
where:
Base-Base interactions energy: -557.182
where: short stacking energy: -272.659
Base-Backbone interact. energy: 1.285
local terms energy: -456.745030
where:
bonds (distance) C4'-P energy: -122.521
bonds (distance) P-C4' energy: -143.284
flat angles C4'-P-C4' energy: -106.495
flat angles P-C4'-P energy: -71.324
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -657.534213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.534213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.534213 (E_RNA)
where:
Base-Base interactions energy: -273.871
where: short stacking energy: -189.685
Base-Backbone interact. energy: -2.715
local terms energy: -380.948430
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -114.644
flat angles C4'-P-C4' energy: -90.436
flat angles P-C4'-P energy: -54.294
tors. eta vs tors. theta energy: 7.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2651.038126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2651.038126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2651.038126 (E_RNA)
where:
Base-Base interactions energy: -1843.136
where: short stacking energy: -736.099
Base-Backbone interact. energy: -4.181
local terms energy: -803.721329
where:
bonds (distance) C4'-P energy: -135.827
bonds (distance) P-C4' energy: -159.719
flat angles C4'-P-C4' energy: -160.786
flat angles P-C4'-P energy: -109.296
tors. eta vs tors. theta energy: -238.094
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: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2616.035724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.035724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.035724 (E_RNA)
where:
Base-Base interactions energy: -1820.581
where: short stacking energy: -735.849
Base-Backbone interact. energy: -4.408
local terms energy: -791.047010
where:
bonds (distance) C4'-P energy: -138.787
bonds (distance) P-C4' energy: -140.921
flat angles C4'-P-C4' energy: -171.624
flat angles P-C4'-P energy: -110.801
tors. eta vs tors. theta energy: -228.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -2488.574335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.574335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.574335 (E_RNA)
where:
Base-Base interactions energy: -1710.197
where: short stacking energy: -723.502
Base-Backbone interact. energy: -3.222
local terms energy: -775.155893
where:
bonds (distance) C4'-P energy: -140.470
bonds (distance) P-C4' energy: -151.891
flat angles C4'-P-C4' energy: -157.447
flat angles P-C4'-P energy: -117.493
tors. eta vs tors. theta energy: -207.855
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: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -2363.611230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2363.611230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2363.611230 (E_RNA)
where:
Base-Base interactions energy: -1611.303
where: short stacking energy: -669.196
Base-Backbone interact. energy: -4.486
local terms energy: -747.821872
where:
bonds (distance) C4'-P energy: -148.520
bonds (distance) P-C4' energy: -146.497
flat angles C4'-P-C4' energy: -147.483
flat angles P-C4'-P energy: -109.294
tors. eta vs tors. theta energy: -196.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -2243.736890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2243.736890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2243.736890 (E_RNA)
where:
Base-Base interactions energy: -1554.956
where: short stacking energy: -652.170
Base-Backbone interact. energy: 3.591
local terms energy: -692.372402
where:
bonds (distance) C4'-P energy: -116.141
bonds (distance) P-C4' energy: -128.400
flat angles C4'-P-C4' energy: -155.100
flat angles P-C4'-P energy: -91.736
tors. eta vs tors. theta energy: -200.996
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: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1857.321010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.321010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.321010 (E_RNA)
where:
Base-Base interactions energy: -1213.322
where: short stacking energy: -557.807
Base-Backbone interact. energy: -3.538
local terms energy: -640.460835
where:
bonds (distance) C4'-P energy: -113.478
bonds (distance) P-C4' energy: -122.559
flat angles C4'-P-C4' energy: -156.776
flat angles P-C4'-P energy: -96.214
tors. eta vs tors. theta energy: -151.433
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: 6
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1623.198957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.198957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.198957 (E_RNA)
where:
Base-Base interactions energy: -1063.826
where: short stacking energy: -456.035
Base-Backbone interact. energy: 0.814
local terms energy: -560.186772
where:
bonds (distance) C4'-P energy: -126.345
bonds (distance) P-C4' energy: -113.251
flat angles C4'-P-C4' energy: -139.755
flat angles P-C4'-P energy: -83.146
tors. eta vs tors. theta energy: -97.689
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: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1386.912447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.912447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.912447 (E_RNA)
where:
Base-Base interactions energy: -878.337
where: short stacking energy: -379.288
Base-Backbone interact. energy: -2.362
local terms energy: -506.213414
where:
bonds (distance) C4'-P energy: -101.498
bonds (distance) P-C4' energy: -133.511
flat angles C4'-P-C4' energy: -122.453
flat angles P-C4'-P energy: -93.080
tors. eta vs tors. theta energy: -55.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1041.907858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.907858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.907858 (E_RNA)
where:
Base-Base interactions energy: -552.428
where: short stacking energy: -272.159
Base-Backbone interact. energy: -2.184
local terms energy: -487.295616
where:
bonds (distance) C4'-P energy: -116.670
bonds (distance) P-C4' energy: -136.444
flat angles C4'-P-C4' energy: -123.368
flat angles P-C4'-P energy: -88.606
tors. eta vs tors. theta energy: -22.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -642.096570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.096570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.096570 (E_RNA)
where:
Base-Base interactions energy: -253.668
where: short stacking energy: -164.713
Base-Backbone interact. energy: -0.735
local terms energy: -387.693588
where:
bonds (distance) C4'-P energy: -109.564
bonds (distance) P-C4' energy: -136.666
flat angles C4'-P-C4' energy: -114.331
flat angles P-C4'-P energy: -57.447
tors. eta vs tors. theta energy: 30.314
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: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2644.707826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2644.707826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2644.707826 (E_RNA)
where:
Base-Base interactions energy: -1805.881
where: short stacking energy: -764.307
Base-Backbone interact. energy: -2.075
local terms energy: -836.751320
where:
bonds (distance) C4'-P energy: -148.054
bonds (distance) P-C4' energy: -147.061
flat angles C4'-P-C4' energy: -177.052
flat angles P-C4'-P energy: -119.889
tors. eta vs tors. theta energy: -244.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2620.306177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.306177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.306177 (E_RNA)
where:
Base-Base interactions energy: -1822.656
where: short stacking energy: -716.523
Base-Backbone interact. energy: -0.712
local terms energy: -796.938921
where:
bonds (distance) C4'-P energy: -145.335
bonds (distance) P-C4' energy: -152.149
flat angles C4'-P-C4' energy: -170.756
flat angles P-C4'-P energy: -112.627
tors. eta vs tors. theta energy: -216.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -2527.310698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2527.310698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2527.310698 (E_RNA)
where:
Base-Base interactions energy: -1699.875
where: short stacking energy: -710.009
Base-Backbone interact. energy: -1.819
local terms energy: -825.616820
where:
bonds (distance) C4'-P energy: -150.256
bonds (distance) P-C4' energy: -141.945
flat angles C4'-P-C4' energy: -177.880
flat angles P-C4'-P energy: -129.999
tors. eta vs tors. theta energy: -225.536
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: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -2334.755256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.755256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.755256 (E_RNA)
where:
Base-Base interactions energy: -1635.607
where: short stacking energy: -669.024
Base-Backbone interact. energy: -1.242
local terms energy: -697.906227
where:
bonds (distance) C4'-P energy: -113.312
bonds (distance) P-C4' energy: -142.555
flat angles C4'-P-C4' energy: -162.768
flat angles P-C4'-P energy: -90.392
tors. eta vs tors. theta energy: -188.879
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -2198.042815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2198.042815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2198.042815 (E_RNA)
where:
Base-Base interactions energy: -1499.433
where: short stacking energy: -609.442
Base-Backbone interact. energy: -2.371
local terms energy: -696.238387
where:
bonds (distance) C4'-P energy: -138.600
bonds (distance) P-C4' energy: -123.868
flat angles C4'-P-C4' energy: -153.117
flat angles P-C4'-P energy: -102.127
tors. eta vs tors. theta energy: -178.526
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1897.255204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.255204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.255204 (E_RNA)
where:
Base-Base interactions energy: -1241.862
where: short stacking energy: -543.637
Base-Backbone interact. energy: 4.222
local terms energy: -659.615351
where:
bonds (distance) C4'-P energy: -149.498
bonds (distance) P-C4' energy: -126.574
flat angles C4'-P-C4' energy: -159.037
flat angles P-C4'-P energy: -86.625
tors. eta vs tors. theta energy: -137.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1590.166635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.166635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.166635 (E_RNA)
where:
Base-Base interactions energy: -1067.832
where: short stacking energy: -435.390
Base-Backbone interact. energy: 0.691
local terms energy: -523.026068
where:
bonds (distance) C4'-P energy: -113.723
bonds (distance) P-C4' energy: -123.433
flat angles C4'-P-C4' energy: -135.203
flat angles P-C4'-P energy: -61.420
tors. eta vs tors. theta energy: -89.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1382.019823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.019823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.019823 (E_RNA)
where:
Base-Base interactions energy: -824.356
where: short stacking energy: -394.660
Base-Backbone interact. energy: -0.063
local terms energy: -557.600379
where:
bonds (distance) C4'-P energy: -145.138
bonds (distance) P-C4' energy: -121.623
flat angles C4'-P-C4' energy: -132.535
flat angles P-C4'-P energy: -74.537
tors. eta vs tors. theta energy: -83.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1026.124596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.124596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.124596 (E_RNA)
where:
Base-Base interactions energy: -579.265
where: short stacking energy: -290.297
Base-Backbone interact. energy: 0.457
local terms energy: -447.315889
where:
bonds (distance) C4'-P energy: -106.395
bonds (distance) P-C4' energy: -120.653
flat angles C4'-P-C4' energy: -136.819
flat angles P-C4'-P energy: -62.020
tors. eta vs tors. theta energy: -21.429
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: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -606.319938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.319938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.319938 (E_RNA)
where:
Base-Base interactions energy: -265.130
where: short stacking energy: -175.372
Base-Backbone interact. energy: 7.052
local terms energy: -348.242019
where:
bonds (distance) C4'-P energy: -105.980
bonds (distance) P-C4' energy: -111.132
flat angles C4'-P-C4' energy: -103.843
flat angles P-C4'-P energy: -52.547
tors. eta vs tors. theta energy: 25.259
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: 5
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2659.122403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.122403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.122403 (E_RNA)
where:
Base-Base interactions energy: -1825.909
where: short stacking energy: -763.384
Base-Backbone interact. energy: -2.435
local terms energy: -830.778264
where:
bonds (distance) C4'-P energy: -154.202
bonds (distance) P-C4' energy: -141.755
flat angles C4'-P-C4' energy: -172.994
flat angles P-C4'-P energy: -124.609
tors. eta vs tors. theta energy: -237.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2638.114461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2638.114461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2638.114461 (E_RNA)
where:
Base-Base interactions energy: -1821.263
where: short stacking energy: -739.151
Base-Backbone interact. energy: 3.347
local terms energy: -820.198883
where:
bonds (distance) C4'-P energy: -165.108
bonds (distance) P-C4' energy: -168.414
flat angles C4'-P-C4' energy: -172.771
flat angles P-C4'-P energy: -106.579
tors. eta vs tors. theta energy: -207.326
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: 2
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -2470.570230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2470.570230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2470.570230 (E_RNA)
where:
Base-Base interactions energy: -1688.289
where: short stacking energy: -728.062
Base-Backbone interact. energy: -3.522
local terms energy: -778.759493
where:
bonds (distance) C4'-P energy: -137.755
bonds (distance) P-C4' energy: -144.845
flat angles C4'-P-C4' energy: -162.555
flat angles P-C4'-P energy: -102.124
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: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -2297.029732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2297.029732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2297.029732 (E_RNA)
where:
Base-Base interactions energy: -1551.731
where: short stacking energy: -646.604
Base-Backbone interact. energy: -5.076
local terms energy: -740.221871
where:
bonds (distance) C4'-P energy: -132.782
bonds (distance) P-C4' energy: -143.833
flat angles C4'-P-C4' energy: -167.024
flat angles P-C4'-P energy: -93.184
tors. eta vs tors. theta energy: -203.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -2201.709598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2201.709598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2201.709598 (E_RNA)
where:
Base-Base interactions energy: -1483.208
where: short stacking energy: -607.804
Base-Backbone interact. energy: -4.316
local terms energy: -714.185581
where:
bonds (distance) C4'-P energy: -133.711
bonds (distance) P-C4' energy: -139.719
flat angles C4'-P-C4' energy: -144.320
flat angles P-C4'-P energy: -115.017
tors. eta vs tors. theta energy: -181.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1868.540552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.540552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.540552 (E_RNA)
where:
Base-Base interactions energy: -1203.976
where: short stacking energy: -511.623
Base-Backbone interact. energy: -0.008
local terms energy: -664.555793
where:
bonds (distance) C4'-P energy: -127.636
bonds (distance) P-C4' energy: -157.486
flat angles C4'-P-C4' energy: -142.345
flat angles P-C4'-P energy: -112.028
tors. eta vs tors. theta energy: -125.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1574.206601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.206601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.206601 (E_RNA)
where:
Base-Base interactions energy: -995.503
where: short stacking energy: -430.690
Base-Backbone interact. energy: -3.297
local terms energy: -575.406714
where:
bonds (distance) C4'-P energy: -141.906
bonds (distance) P-C4' energy: -130.328
flat angles C4'-P-C4' energy: -126.324
flat angles P-C4'-P energy: -82.602
tors. eta vs tors. theta energy: -94.246
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: 456
Temperature: 1.250000
Total energy: -1362.296672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.296672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.296672 (E_RNA)
where:
Base-Base interactions energy: -803.517
where: short stacking energy: -401.878
Base-Backbone interact. energy: -2.775
local terms energy: -556.003857
where:
bonds (distance) C4'-P energy: -112.992
bonds (distance) P-C4' energy: -143.277
flat angles C4'-P-C4' energy: -140.696
flat angles P-C4'-P energy: -82.140
tors. eta vs tors. theta energy: -76.898
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: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -993.252339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.252339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.252339 (E_RNA)
where:
Base-Base interactions energy: -538.187
where: short stacking energy: -271.429
Base-Backbone interact. energy: 1.672
local terms energy: -456.737745
where:
bonds (distance) C4'-P energy: -131.855
bonds (distance) P-C4' energy: -129.996
flat angles C4'-P-C4' energy: -110.814
flat angles P-C4'-P energy: -67.338
tors. eta vs tors. theta energy: -16.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -613.221696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.221696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.221696 (E_RNA)
where:
Base-Base interactions energy: -269.708
where: short stacking energy: -198.156
Base-Backbone interact. energy: 4.986
local terms energy: -348.499109
where:
bonds (distance) C4'-P energy: -108.788
bonds (distance) P-C4' energy: -118.816
flat angles C4'-P-C4' energy: -112.550
flat angles P-C4'-P energy: -26.327
tors. eta vs tors. theta energy: 17.983
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: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2671.946843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.946843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.946843 (E_RNA)
where:
Base-Base interactions energy: -1830.309
where: short stacking energy: -760.665
Base-Backbone interact. energy: -3.021
local terms energy: -838.617504
where:
bonds (distance) C4'-P energy: -161.801
bonds (distance) P-C4' energy: -143.255
flat angles C4'-P-C4' energy: -166.566
flat angles P-C4'-P energy: -125.227
tors. eta vs tors. theta energy: -241.769
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: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2615.333025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2615.333025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2615.333025 (E_RNA)
where:
Base-Base interactions energy: -1824.183
where: short stacking energy: -756.119
Base-Backbone interact. energy: -2.725
local terms energy: -788.425488
where:
bonds (distance) C4'-P energy: -143.433
bonds (distance) P-C4' energy: -148.524
flat angles C4'-P-C4' energy: -170.719
flat angles P-C4'-P energy: -100.880
tors. eta vs tors. theta energy: -224.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -2519.732553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.732553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.732553 (E_RNA)
where:
Base-Base interactions energy: -1754.531
where: short stacking energy: -764.189
Base-Backbone interact. energy: -2.272
local terms energy: -762.929836
where:
bonds (distance) C4'-P energy: -127.742
bonds (distance) P-C4' energy: -144.287
flat angles C4'-P-C4' energy: -159.602
flat angles P-C4'-P energy: -96.971
tors. eta vs tors. theta energy: -234.327
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: 457
Temperature: 1.050000
Total energy: -2247.738296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2247.738296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2247.738296 (E_RNA)
where:
Base-Base interactions energy: -1521.835
where: short stacking energy: -632.407
Base-Backbone interact. energy: -1.966
local terms energy: -723.937679
where:
bonds (distance) C4'-P energy: -133.996
bonds (distance) P-C4' energy: -142.463
flat angles C4'-P-C4' energy: -151.812
flat angles P-C4'-P energy: -108.974
tors. eta vs tors. theta energy: -186.692
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: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -2182.806204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2182.806204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2182.806204 (E_RNA)
where:
Base-Base interactions energy: -1510.925
where: short stacking energy: -617.654
Base-Backbone interact. energy: -3.208
local terms energy: -668.672790
where:
bonds (distance) C4'-P energy: -112.499
bonds (distance) P-C4' energy: -116.980
flat angles C4'-P-C4' energy: -154.944
flat angles P-C4'-P energy: -89.363
tors. eta vs tors. theta energy: -194.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1860.664788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.664788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.664788 (E_RNA)
where:
Base-Base interactions energy: -1227.935
where: short stacking energy: -525.035
Base-Backbone interact. energy: 2.114
local terms energy: -634.844085
where:
bonds (distance) C4'-P energy: -124.384
bonds (distance) P-C4' energy: -151.259
flat angles C4'-P-C4' energy: -132.428
flat angles P-C4'-P energy: -85.037
tors. eta vs tors. theta energy: -141.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1602.152913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.152913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.152913 (E_RNA)
where:
Base-Base interactions energy: -1041.970
where: short stacking energy: -459.542
Base-Backbone interact. energy: -1.003
local terms energy: -559.180496
where:
bonds (distance) C4'-P energy: -116.384
bonds (distance) P-C4' energy: -136.994
flat angles C4'-P-C4' energy: -140.516
flat angles P-C4'-P energy: -69.091
tors. eta vs tors. theta energy: -96.195
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: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1346.831030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.831030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.831030 (E_RNA)
where:
Base-Base interactions energy: -845.041
where: short stacking energy: -384.217
Base-Backbone interact. energy: 2.206
local terms energy: -503.995636
where:
bonds (distance) C4'-P energy: -109.135
bonds (distance) P-C4' energy: -119.789
flat angles C4'-P-C4' energy: -137.054
flat angles P-C4'-P energy: -69.510
tors. eta vs tors. theta energy: -68.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1036.255326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.255326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.255326 (E_RNA)
where:
Base-Base interactions energy: -530.980
where: short stacking energy: -264.481
Base-Backbone interact. energy: 2.601
local terms energy: -507.876850
where:
bonds (distance) C4'-P energy: -125.356
bonds (distance) P-C4' energy: -128.565
flat angles C4'-P-C4' energy: -141.392
flat angles P-C4'-P energy: -80.586
tors. eta vs tors. theta energy: -31.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -620.809593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.809593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.809593 (E_RNA)
where:
Base-Base interactions energy: -241.233
where: short stacking energy: -166.688
Base-Backbone interact. energy: 5.660
local terms energy: -385.235718
where:
bonds (distance) C4'-P energy: -124.520
bonds (distance) P-C4' energy: -120.830
flat angles C4'-P-C4' energy: -106.937
flat angles P-C4'-P energy: -60.164
tors. eta vs tors. theta energy: 27.215
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: 1, replica: 5
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2671.870119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2671.870119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2671.870119 (E_RNA)
where:
Base-Base interactions energy: -1832.486
where: short stacking energy: -768.811
Base-Backbone interact. energy: -4.361
local terms energy: -835.023861
where:
bonds (distance) C4'-P energy: -148.588
bonds (distance) P-C4' energy: -149.106
flat angles C4'-P-C4' energy: -181.143
flat angles P-C4'-P energy: -115.855
tors. eta vs tors. theta energy: -240.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2614.999413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2614.999413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2614.999413 (E_RNA)
where:
Base-Base interactions energy: -1814.001
where: short stacking energy: -755.952
Base-Backbone interact. energy: -5.367
local terms energy: -795.631843
where:
bonds (distance) C4'-P energy: -136.701
bonds (distance) P-C4' energy: -154.803
flat angles C4'-P-C4' energy: -173.766
flat angles P-C4'-P energy: -93.178
tors. eta vs tors. theta energy: -237.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -2511.459064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.459064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.459064 (E_RNA)
where:
Base-Base interactions energy: -1730.273
where: short stacking energy: -734.125
Base-Backbone interact. energy: -0.860
local terms energy: -780.325727
where:
bonds (distance) C4'-P energy: -139.546
bonds (distance) P-C4' energy: -137.442
flat angles C4'-P-C4' energy: -171.904
flat angles P-C4'-P energy: -106.654
tors. eta vs tors. theta energy: -224.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -2329.141216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2329.141216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2329.141216 (E_RNA)
where:
Base-Base interactions energy: -1583.894
where: short stacking energy: -660.484
Base-Backbone interact. energy: 2.656
local terms energy: -747.903547
where:
bonds (distance) C4'-P energy: -145.332
bonds (distance) P-C4' energy: -136.019
flat angles C4'-P-C4' energy: -165.436
flat angles P-C4'-P energy: -96.459
tors. eta vs tors. theta energy: -204.657
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: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -2149.208730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2149.208730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2149.208730 (E_RNA)
where:
Base-Base interactions energy: -1432.574
where: short stacking energy: -596.743
Base-Backbone interact. energy: 4.242
local terms energy: -720.877213
where:
bonds (distance) C4'-P energy: -136.284
bonds (distance) P-C4' energy: -137.524
flat angles C4'-P-C4' energy: -150.411
flat angles P-C4'-P energy: -99.235
tors. eta vs tors. theta energy: -197.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1884.073641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.073641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.073641 (E_RNA)
where:
Base-Base interactions energy: -1246.801
where: short stacking energy: -540.678
Base-Backbone interact. energy: -3.532
local terms energy: -633.740617
where:
bonds (distance) C4'-P energy: -124.059
bonds (distance) P-C4' energy: -144.275
flat angles C4'-P-C4' energy: -137.961
flat angles P-C4'-P energy: -87.512
tors. eta vs tors. theta energy: -139.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1648.950552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.950552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.950552 (E_RNA)
where:
Base-Base interactions energy: -1051.709
where: short stacking energy: -469.812
Base-Backbone interact. energy: 0.073
local terms energy: -597.314814
where:
bonds (distance) C4'-P energy: -117.410
bonds (distance) P-C4' energy: -125.501
flat angles C4'-P-C4' energy: -143.882
flat angles P-C4'-P energy: -87.802
tors. eta vs tors. theta energy: -122.720
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: 458
Temperature: 1.250000
Total energy: -1355.732868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.732868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.732868 (E_RNA)
where:
Base-Base interactions energy: -836.679
where: short stacking energy: -393.518
Base-Backbone interact. energy: 3.434
local terms energy: -522.488051
where:
bonds (distance) C4'-P energy: -111.517
bonds (distance) P-C4' energy: -134.491
flat angles C4'-P-C4' energy: -132.540
flat angles P-C4'-P energy: -68.066
tors. eta vs tors. theta energy: -75.874
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: 9, replica: 7
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1016.651959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.651959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.651959 (E_RNA)
where:
Base-Base interactions energy: -564.137
where: short stacking energy: -282.580
Base-Backbone interact. energy: 10.528
local terms energy: -463.042825
where:
bonds (distance) C4'-P energy: -131.213
bonds (distance) P-C4' energy: -133.291
flat angles C4'-P-C4' energy: -102.881
flat angles P-C4'-P energy: -84.642
tors. eta vs tors. theta energy: -11.016
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: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -654.889625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.889625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.889625 (E_RNA)
where:
Base-Base interactions energy: -247.368
where: short stacking energy: -163.369
Base-Backbone interact. energy: 2.345
local terms energy: -409.866179
where:
bonds (distance) C4'-P energy: -108.218
bonds (distance) P-C4' energy: -129.845
flat angles C4'-P-C4' energy: -118.646
flat angles P-C4'-P energy: -67.546
tors. eta vs tors. theta energy: 14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2663.237536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.237536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.237536 (E_RNA)
where:
Base-Base interactions energy: -1797.206
where: short stacking energy: -797.530
Base-Backbone interact. energy: -4.685
local terms energy: -861.345872
where:
bonds (distance) C4'-P energy: -159.292
bonds (distance) P-C4' energy: -150.057
flat angles C4'-P-C4' energy: -188.851
flat angles P-C4'-P energy: -115.953
tors. eta vs tors. theta energy: -247.192
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: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2612.303892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2612.303892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2612.303892 (E_RNA)
where:
Base-Base interactions energy: -1834.850
where: short stacking energy: -742.281
Base-Backbone interact. energy: -2.445
local terms energy: -775.008597
where:
bonds (distance) C4'-P energy: -133.668
bonds (distance) P-C4' energy: -150.223
flat angles C4'-P-C4' energy: -171.502
flat angles P-C4'-P energy: -102.636
tors. eta vs tors. theta energy: -216.980
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: 2
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -2495.959012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.959012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.959012 (E_RNA)
where:
Base-Base interactions energy: -1716.564
where: short stacking energy: -715.860
Base-Backbone interact. energy: -1.038
local terms energy: -778.356265
where:
bonds (distance) C4'-P energy: -142.615
bonds (distance) P-C4' energy: -145.146
flat angles C4'-P-C4' energy: -169.773
flat angles P-C4'-P energy: -103.181
tors. eta vs tors. theta energy: -217.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -2284.046964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2284.046964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2284.046964 (E_RNA)
where:
Base-Base interactions energy: -1544.835
where: short stacking energy: -635.975
Base-Backbone interact. energy: -4.477
local terms energy: -734.735245
where:
bonds (distance) C4'-P energy: -135.352
bonds (distance) P-C4' energy: -144.241
flat angles C4'-P-C4' energy: -168.915
flat angles P-C4'-P energy: -95.898
tors. eta vs tors. theta energy: -190.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -2221.459523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2221.459523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2221.459523 (E_RNA)
where:
Base-Base interactions energy: -1545.611
where: short stacking energy: -641.627
Base-Backbone interact. energy: 1.265
local terms energy: -677.113377
where:
bonds (distance) C4'-P energy: -126.714
bonds (distance) P-C4' energy: -135.796
flat angles C4'-P-C4' energy: -153.731
flat angles P-C4'-P energy: -81.248
tors. eta vs tors. theta energy: -179.624
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: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1884.655510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.655510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.655510 (E_RNA)
where:
Base-Base interactions energy: -1203.979
where: short stacking energy: -514.917
Base-Backbone interact. energy: -3.067
local terms energy: -677.608949
where:
bonds (distance) C4'-P energy: -145.424
bonds (distance) P-C4' energy: -141.114
flat angles C4'-P-C4' energy: -149.578
flat angles P-C4'-P energy: -97.388
tors. eta vs tors. theta energy: -144.105
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: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1642.496456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.496456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.496456 (E_RNA)
where:
Base-Base interactions energy: -1041.606
where: short stacking energy: -457.673
Base-Backbone interact. energy: 3.156
local terms energy: -604.046219
where:
bonds (distance) C4'-P energy: -126.314
bonds (distance) P-C4' energy: -132.633
flat angles C4'-P-C4' energy: -139.961
flat angles P-C4'-P energy: -84.747
tors. eta vs tors. theta energy: -120.392
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: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1388.120361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.120361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.120361 (E_RNA)
where:
Base-Base interactions energy: -839.689
where: short stacking energy: -395.986
Base-Backbone interact. energy: 0.112
local terms energy: -548.543246
where:
bonds (distance) C4'-P energy: -123.295
bonds (distance) P-C4' energy: -139.462
flat angles C4'-P-C4' energy: -137.078
flat angles P-C4'-P energy: -75.894
tors. eta vs tors. theta energy: -72.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1027.470247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.470247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.470247 (E_RNA)
where:
Base-Base interactions energy: -575.654
where: short stacking energy: -266.684
Base-Backbone interact. energy: -1.353
local terms energy: -450.462573
where:
bonds (distance) C4'-P energy: -128.264
bonds (distance) P-C4' energy: -125.286
flat angles C4'-P-C4' energy: -107.796
flat angles P-C4'-P energy: -73.080
tors. eta vs tors. theta energy: -16.036
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: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -686.311393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.311393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.311393 (E_RNA)
where:
Base-Base interactions energy: -283.150
where: short stacking energy: -172.366
Base-Backbone interact. energy: -2.077
local terms energy: -401.083715
where:
bonds (distance) C4'-P energy: -124.057
bonds (distance) P-C4' energy: -116.061
flat angles C4'-P-C4' energy: -114.639
flat angles P-C4'-P energy: -57.505
tors. eta vs tors. theta energy: 11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2712.748546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.748546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.748546 (E_RNA)
where:
Base-Base interactions energy: -1905.880
where: short stacking energy: -769.490
Base-Backbone interact. energy: -4.203
local terms energy: -802.664883
where:
bonds (distance) C4'-P energy: -162.716
bonds (distance) P-C4' energy: -128.882
flat angles C4'-P-C4' energy: -168.481
flat angles P-C4'-P energy: -109.764
tors. eta vs tors. theta energy: -232.822
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: 5
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -2629.174049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2629.174049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2629.174049 (E_RNA)
where:
Base-Base interactions energy: -1798.841
where: short stacking energy: -749.585
Base-Backbone interact. energy: -4.096
local terms energy: -826.237681
where:
bonds (distance) C4'-P energy: -158.290
bonds (distance) P-C4' energy: -143.970
flat angles C4'-P-C4' energy: -183.123
flat angles P-C4'-P energy: -108.856
tors. eta vs tors. theta energy: -231.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -2519.954755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2519.954755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2519.954755 (E_RNA)
where:
Base-Base interactions energy: -1725.467
where: short stacking energy: -731.435
Base-Backbone interact. energy: -2.025
local terms energy: -792.463148
where:
bonds (distance) C4'-P energy: -142.029
bonds (distance) P-C4' energy: -132.522
flat angles C4'-P-C4' energy: -168.383
flat angles P-C4'-P energy: -114.258
tors. eta vs tors. theta energy: -235.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -2298.369980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2298.369980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2298.369980 (E_RNA)
where:
Base-Base interactions energy: -1574.219
where: short stacking energy: -667.120
Base-Backbone interact. energy: -0.186
local terms energy: -723.965205
where:
bonds (distance) C4'-P energy: -130.354
bonds (distance) P-C4' energy: -150.360
flat angles C4'-P-C4' energy: -155.594
flat angles P-C4'-P energy: -90.474
tors. eta vs tors. theta energy: -197.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -2200.595321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2200.595321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2200.595321 (E_RNA)
where:
Base-Base interactions energy: -1513.215
where: short stacking energy: -617.788
Base-Backbone interact. energy: 1.172
local terms energy: -688.552555
where:
bonds (distance) C4'-P energy: -122.948
bonds (distance) P-C4' energy: -142.216
flat angles C4'-P-C4' energy: -150.157
flat angles P-C4'-P energy: -99.037
tors. eta vs tors. theta energy: -174.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1864.532854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.532854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.532854 (E_RNA)
where:
Base-Base interactions energy: -1223.575
where: short stacking energy: -507.452
Base-Backbone interact. energy: -1.983
local terms energy: -638.974998
where:
bonds (distance) C4'-P energy: -129.415
bonds (distance) P-C4' energy: -123.262
flat angles C4'-P-C4' energy: -147.973
flat angles P-C4'-P energy: -99.247
tors. eta vs tors. theta energy: -139.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1656.863705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.863705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.863705 (E_RNA)
where:
Base-Base interactions energy: -1074.430
where: short stacking energy: -472.178
Base-Backbone interact. energy: -2.208
local terms energy: -580.225842
where:
bonds (distance) C4'-P energy: -131.527
bonds (distance) P-C4' energy: -123.843
flat angles C4'-P-C4' energy: -134.458
flat angles P-C4'-P energy: -84.922
tors. eta vs tors. theta energy: -105.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1400.904993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.904993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.904993 (E_RNA)
where:
Base-Base interactions energy: -899.484
where: short stacking energy: -427.695
Base-Backbone interact. energy: 1.738
local terms energy: -503.158558
where:
bonds (distance) C4'-P energy: -119.615
bonds (distance) P-C4' energy: -117.047
flat angles C4'-P-C4' energy: -114.678
flat angles P-C4'-P energy: -72.639
tors. eta vs tors. theta energy: -79.179
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: 9, replica: 7
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -990.432588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.432588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.432588 (E_RNA)
where:
Base-Base interactions energy: -560.326
where: short stacking energy: -287.650
Base-Backbone interact. energy: -1.866
local terms energy: -428.240075
where:
bonds (distance) C4'-P energy: -120.424
bonds (distance) P-C4' energy: -110.522
flat angles C4'-P-C4' energy: -112.860
flat angles P-C4'-P energy: -53.979
tors. eta vs tors. theta energy: -30.455
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: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -680.034721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.034721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.034721 (E_RNA)
where:
Base-Base interactions energy: -282.866
where: short stacking energy: -193.019
Base-Backbone interact. energy: 1.996
local terms energy: -399.164080
where:
bonds (distance) C4'-P energy: -108.381
bonds (distance) P-C4' energy: -123.797
flat angles C4'-P-C4' energy: -113.836
flat angles P-C4'-P energy: -67.721
tors. eta vs tors. theta energy: 14.571
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: 9
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -2703.553542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2703.553542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2703.553542 (E_RNA)
where:
Base-Base interactions energy: -1910.501
where: short stacking energy: -767.269
Base-Backbone interact. energy: -4.826
local terms energy: -788.226489
where:
bonds (distance) C4'-P energy: -135.741
bonds (distance) P-C4' energy: -162.342
flat angles C4'-P-C4' energy: -160.535
flat angles P-C4'-P energy: -108.529
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: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -2597.690021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.690021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.690021 (E_RNA)
where:
Base-Base interactions energy: -1773.400
where: short stacking energy: -750.192
Base-Backbone interact. energy: 0.107
local terms energy: -824.396927
where:
bonds (distance) C4'-P energy: -155.782
bonds (distance) P-C4' energy: -154.024
flat angles C4'-P-C4' energy: -170.174
flat angles P-C4'-P energy: -118.092
tors. eta vs tors. theta energy: -226.326
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -2490.435503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.435503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.435503 (E_RNA)
where:
Base-Base interactions energy: -1708.913
where: short stacking energy: -706.086
Base-Backbone interact. energy: -0.699
local terms energy: -780.823420
where:
bonds (distance) C4'-P energy: -148.852
bonds (distance) P-C4' energy: -136.467
flat angles C4'-P-C4' energy: -167.077
flat angles P-C4'-P energy: -103.851
tors. eta vs tors. theta energy: -224.577
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: 3
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -2328.731091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.731091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.731091 (E_RNA)
where:
Base-Base interactions energy: -1601.898
where: short stacking energy: -646.823
Base-Backbone interact. energy: -4.239
local terms energy: -722.594398
where:
bonds (distance) C4'-P energy: -131.969
bonds (distance) P-C4' energy: -128.941
flat angles C4'-P-C4' energy: -162.051
flat angles P-C4'-P energy: -105.991
tors. eta vs tors. theta energy: -193.642
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: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -2202.627534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2202.627534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2202.627534 (E_RNA)
where:
Base-Base interactions energy: -1491.319
where: short stacking energy: -591.850
Base-Backbone interact. energy: 4.470
local terms energy: -715.778212
where:
bonds (distance) C4'-P energy: -142.146
bonds (distance) P-C4' energy: -127.672
flat angles C4'-P-C4' energy: -161.000
flat angles P-C4'-P energy: -105.400
tors. eta vs tors. theta energy: -179.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1819.485307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.485307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.485307 (E_RNA)
where:
Base-Base interactions energy: -1176.585
where: short stacking energy: -516.985
Base-Backbone interact. energy: 0.273
local terms energy: -643.173345
where:
bonds (distance) C4'-P energy: -142.295
bonds (distance) P-C4' energy: -113.542
flat angles C4'-P-C4' energy: -162.252
flat angles P-C4'-P energy: -91.896
tors. eta vs tors. theta energy: -133.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1680.875394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.875394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.875394 (E_RNA)
where:
Base-Base interactions energy: -1105.160
where: short stacking energy: -463.415
Base-Backbone interact. energy: 0.980
local terms energy: -576.695504
where:
bonds (distance) C4'-P energy: -132.309
bonds (distance) P-C4' energy: -113.237
flat angles C4'-P-C4' energy: -145.193
flat angles P-C4'-P energy: -81.565
tors. eta vs tors. theta energy: -104.391
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: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1389.888923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.888923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.888923 (E_RNA)
where:
Base-Base interactions energy: -849.438
where: short stacking energy: -393.387
Base-Backbone interact. energy: 0.152
local terms energy: -540.603267
where:
bonds (distance) C4'-P energy: -120.906
bonds (distance) P-C4' energy: -122.992
flat angles C4'-P-C4' energy: -141.207
flat angles P-C4'-P energy: -74.560
tors. eta vs tors. theta energy: -80.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1101.702297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.702297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.702297 (E_RNA)
where:
Base-Base interactions energy: -630.534
where: short stacking energy: -277.688
Base-Backbone interact. energy: 1.484
local terms energy: -472.652542
where:
bonds (distance) C4'-P energy: -117.850
bonds (distance) P-C4' energy: -144.007
flat angles C4'-P-C4' energy: -88.721
flat angles P-C4'-P energy: -82.724
tors. eta vs tors. theta energy: -39.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -676.850793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.850793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.850793 (E_RNA)
where:
Base-Base interactions energy: -292.220
where: short stacking energy: -202.706
Base-Backbone interact. energy: 5.397
local terms energy: -390.027589
where:
bonds (distance) C4'-P energy: -119.431
bonds (distance) P-C4' energy: -130.780
flat angles C4'-P-C4' energy: -97.310
flat angles P-C4'-P energy: -51.052
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: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2692.784217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2692.784217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2692.784217 (E_RNA)
where:
Base-Base interactions energy: -1890.737
where: short stacking energy: -762.854
Base-Backbone interact. energy: -2.455
local terms energy: -799.591673
where:
bonds (distance) C4'-P energy: -134.908
bonds (distance) P-C4' energy: -152.007
flat angles C4'-P-C4' energy: -167.045
flat angles P-C4'-P energy: -110.408
tors. eta vs tors. theta energy: -235.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -2590.999341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2590.999341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2590.999341 (E_RNA)
where:
Base-Base interactions energy: -1769.407
where: short stacking energy: -746.326
Base-Backbone interact. energy: 0.577
local terms energy: -822.169642
where:
bonds (distance) C4'-P energy: -148.414
bonds (distance) P-C4' energy: -145.934
flat angles C4'-P-C4' energy: -170.298
flat angles P-C4'-P energy: -119.845
tors. eta vs tors. theta energy: -237.679
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: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -2498.149880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.149880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.149880 (E_RNA)
where:
Base-Base interactions energy: -1680.083
where: short stacking energy: -700.453
Base-Backbone interact. energy: -2.214
local terms energy: -815.852230
where:
bonds (distance) C4'-P energy: -160.660
bonds (distance) P-C4' energy: -151.280
flat angles C4'-P-C4' energy: -167.823
flat angles P-C4'-P energy: -112.394
tors. eta vs tors. theta energy: -223.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -2302.056237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2302.056237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2302.056237 (E_RNA)
where:
Base-Base interactions energy: -1564.936
where: short stacking energy: -637.594
Base-Backbone interact. energy: -0.570
local terms energy: -736.549505
where:
bonds (distance) C4'-P energy: -128.191
bonds (distance) P-C4' energy: -151.496
flat angles C4'-P-C4' energy: -166.272
flat angles P-C4'-P energy: -100.300
tors. eta vs tors. theta energy: -190.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -2216.629287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2216.629287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2216.629287 (E_RNA)
where:
Base-Base interactions energy: -1501.844
where: short stacking energy: -618.486
Base-Backbone interact. energy: -4.789
local terms energy: -709.996464
where:
bonds (distance) C4'-P energy: -129.806
bonds (distance) P-C4' energy: -148.895
flat angles C4'-P-C4' energy: -155.222
flat angles P-C4'-P energy: -82.986
tors. eta vs tors. theta energy: -193.087
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1812.507860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.507860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.507860 (E_RNA)
where:
Base-Base interactions energy: -1164.726
where: short stacking energy: -518.030
Base-Backbone interact. energy: -2.095
local terms energy: -645.687168
where:
bonds (distance) C4'-P energy: -140.094
bonds (distance) P-C4' energy: -130.883
flat angles C4'-P-C4' energy: -152.439
flat angles P-C4'-P energy: -88.141
tors. eta vs tors. theta energy: -134.130
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: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1698.425745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.425745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.425745 (E_RNA)
where:
Base-Base interactions energy: -1082.984
where: short stacking energy: -471.477
Base-Backbone interact. energy: -3.486
local terms energy: -611.954946
where:
bonds (distance) C4'-P energy: -139.352
bonds (distance) P-C4' energy: -128.729
flat angles C4'-P-C4' energy: -140.356
flat angles P-C4'-P energy: -88.620
tors. eta vs tors. theta energy: -114.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1388.963835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.963835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.963835 (E_RNA)
where:
Base-Base interactions energy: -832.971
where: short stacking energy: -395.397
Base-Backbone interact. energy: 4.311
local terms energy: -560.303411
where:
bonds (distance) C4'-P energy: -134.907
bonds (distance) P-C4' energy: -141.389
flat angles C4'-P-C4' energy: -125.693
flat angles P-C4'-P energy: -87.203
tors. eta vs tors. theta energy: -71.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1021.655880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.655880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.655880 (E_RNA)
where:
Base-Base interactions energy: -563.219
where: short stacking energy: -258.467
Base-Backbone interact. energy: 0.792
local terms energy: -459.228278
where:
bonds (distance) C4'-P energy: -114.103
bonds (distance) P-C4' energy: -137.416
flat angles C4'-P-C4' energy: -141.750
flat angles P-C4'-P energy: -46.630
tors. eta vs tors. theta energy: -19.329
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: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -679.485686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.485686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.485686 (E_RNA)
where:
Base-Base interactions energy: -272.079
where: short stacking energy: -182.029
Base-Backbone interact. energy: 3.134
local terms energy: -410.541266
where:
bonds (distance) C4'-P energy: -122.631
bonds (distance) P-C4' energy: -121.898
flat angles C4'-P-C4' energy: -122.516
flat angles P-C4'-P energy: -52.274
tors. eta vs tors. theta energy: 8.778
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: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2667.828420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2667.828420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2667.828420 (E_RNA)
where:
Base-Base interactions energy: -1857.661
where: short stacking energy: -726.778
Base-Backbone interact. energy: 4.271
local terms energy: -814.438613
where:
bonds (distance) C4'-P energy: -162.209
bonds (distance) P-C4' energy: -152.923
flat angles C4'-P-C4' energy: -162.821
flat angles P-C4'-P energy: -107.625
tors. eta vs tors. theta energy: -228.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -2623.785275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2623.785275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2623.785275 (E_RNA)
where:
Base-Base interactions energy: -1785.979
where: short stacking energy: -750.012
Base-Backbone interact. energy: -2.000
local terms energy: -835.805679
where:
bonds (distance) C4'-P energy: -145.369
bonds (distance) P-C4' energy: -170.465
flat angles C4'-P-C4' energy: -168.679
flat angles P-C4'-P energy: -112.494
tors. eta vs tors. theta energy: -238.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -2490.398074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2490.398074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2490.398074 (E_RNA)
where:
Base-Base interactions energy: -1707.965
where: short stacking energy: -730.868
Base-Backbone interact. energy: -2.995
local terms energy: -779.438372
where:
bonds (distance) C4'-P energy: -140.262
bonds (distance) P-C4' energy: -126.021
flat angles C4'-P-C4' energy: -178.522
flat angles P-C4'-P energy: -108.025
tors. eta vs tors. theta energy: -226.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -2319.539816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2319.539816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2319.539816 (E_RNA)
where:
Base-Base interactions energy: -1589.719
where: short stacking energy: -652.161
Base-Backbone interact. energy: -0.893
local terms energy: -728.927093
where:
bonds (distance) C4'-P energy: -146.511
bonds (distance) P-C4' energy: -136.933
flat angles C4'-P-C4' energy: -160.408
flat angles P-C4'-P energy: -102.783
tors. eta vs tors. theta energy: -182.292
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: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -2172.990279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.990279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.990279 (E_RNA)
where:
Base-Base interactions energy: -1446.143
where: short stacking energy: -610.381
Base-Backbone interact. energy: 0.965
local terms energy: -727.812136
where:
bonds (distance) C4'-P energy: -138.872
bonds (distance) P-C4' energy: -140.314
flat angles C4'-P-C4' energy: -171.295
flat angles P-C4'-P energy: -101.495
tors. eta vs tors. theta energy: -175.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1795.863136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.863136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.863136 (E_RNA)
where:
Base-Base interactions energy: -1166.069
where: short stacking energy: -527.174
Base-Backbone interact. energy: -1.021
local terms energy: -628.772893
where:
bonds (distance) C4'-P energy: -124.787
bonds (distance) P-C4' energy: -119.295
flat angles C4'-P-C4' energy: -150.125
flat angles P-C4'-P energy: -98.044
tors. eta vs tors. theta energy: -136.522
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: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1654.570582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.570582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.570582 (E_RNA)
where:
Base-Base interactions energy: -1031.044
where: short stacking energy: -452.088
Base-Backbone interact. energy: -0.117
local terms energy: -623.409060
where:
bonds (distance) C4'-P energy: -133.509
bonds (distance) P-C4' energy: -151.588
flat angles C4'-P-C4' energy: -144.637
flat angles P-C4'-P energy: -79.080
tors. eta vs tors. theta energy: -114.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1402.935899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.935899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.935899 (E_RNA)
where:
Base-Base interactions energy: -867.603
where: short stacking energy: -397.493
Base-Backbone interact. energy: 0.815
local terms energy: -536.147571
where:
bonds (distance) C4'-P energy: -120.364
bonds (distance) P-C4' energy: -137.509
flat angles C4'-P-C4' energy: -133.416
flat angles P-C4'-P energy: -78.086
tors. eta vs tors. theta energy: -66.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -997.695623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.695623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.695623 (E_RNA)
where:
Base-Base interactions energy: -546.841
where: short stacking energy: -273.647
Base-Backbone interact. energy: 0.619
local terms energy: -451.473774
where:
bonds (distance) C4'-P energy: -108.457
bonds (distance) P-C4' energy: -123.091
flat angles C4'-P-C4' energy: -127.011
flat angles P-C4'-P energy: -61.869
tors. eta vs tors. theta energy: -31.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -641.036621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.036621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.036621 (E_RNA)
where:
Base-Base interactions energy: -265.681
where: short stacking energy: -177.532
Base-Backbone interact. energy: -1.523
local terms energy: -373.832851
where:
bonds (distance) C4'-P energy: -128.523
bonds (distance) P-C4' energy: -104.885
flat angles C4'-P-C4' energy: -101.059
flat angles P-C4'-P energy: -63.964
tors. eta vs tors. theta energy: 24.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2691.035135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.035135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.035135 (E_RNA)
where:
Base-Base interactions energy: -1858.485
where: short stacking energy: -770.113
Base-Backbone interact. energy: -3.688
local terms energy: -828.862188
where:
bonds (distance) C4'-P energy: -158.324
bonds (distance) P-C4' energy: -165.820
flat angles C4'-P-C4' energy: -173.988
flat angles P-C4'-P energy: -113.364
tors. eta vs tors. theta energy: -217.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -2620.267185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.267185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.267185 (E_RNA)
where:
Base-Base interactions energy: -1784.616
where: short stacking energy: -743.548
Base-Backbone interact. energy: 1.361
local terms energy: -837.011788
where:
bonds (distance) C4'-P energy: -144.643
bonds (distance) P-C4' energy: -146.798
flat angles C4'-P-C4' energy: -178.573
flat angles P-C4'-P energy: -129.028
tors. eta vs tors. theta energy: -237.969
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: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -2499.220249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2499.220249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2499.220249 (E_RNA)
where:
Base-Base interactions energy: -1709.011
where: short stacking energy: -721.242
Base-Backbone interact. energy: -1.789
local terms energy: -788.420052
where:
bonds (distance) C4'-P energy: -149.009
bonds (distance) P-C4' energy: -147.181
flat angles C4'-P-C4' energy: -166.600
flat angles P-C4'-P energy: -93.561
tors. eta vs tors. theta energy: -232.069
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: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -2358.315334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2358.315334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2358.315334 (E_RNA)
where:
Base-Base interactions energy: -1631.165
where: short stacking energy: -655.532
Base-Backbone interact. energy: 4.286
local terms energy: -731.436046
where:
bonds (distance) C4'-P energy: -128.398
bonds (distance) P-C4' energy: -146.372
flat angles C4'-P-C4' energy: -171.435
flat angles P-C4'-P energy: -88.463
tors. eta vs tors. theta energy: -196.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -2136.785336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2136.785336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2136.785336 (E_RNA)
where:
Base-Base interactions energy: -1437.850
where: short stacking energy: -601.597
Base-Backbone interact. energy: -0.967
local terms energy: -697.968862
where:
bonds (distance) C4'-P energy: -131.076
bonds (distance) P-C4' energy: -151.151
flat angles C4'-P-C4' energy: -166.150
flat angles P-C4'-P energy: -78.554
tors. eta vs tors. theta energy: -171.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1805.019551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.019551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.019551 (E_RNA)
where:
Base-Base interactions energy: -1189.123
where: short stacking energy: -529.537
Base-Backbone interact. energy: 2.635
local terms energy: -618.531639
where:
bonds (distance) C4'-P energy: -119.525
bonds (distance) P-C4' energy: -124.869
flat angles C4'-P-C4' energy: -143.214
flat angles P-C4'-P energy: -95.311
tors. eta vs tors. theta energy: -135.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1666.564742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.564742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.564742 (E_RNA)
where:
Base-Base interactions energy: -1060.810
where: short stacking energy: -470.931
Base-Backbone interact. energy: -4.178
local terms energy: -601.576567
where:
bonds (distance) C4'-P energy: -115.306
bonds (distance) P-C4' energy: -135.646
flat angles C4'-P-C4' energy: -140.610
flat angles P-C4'-P energy: -94.353
tors. eta vs tors. theta energy: -115.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1437.973615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.973615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.973615 (E_RNA)
where:
Base-Base interactions energy: -911.177
where: short stacking energy: -393.489
Base-Backbone interact. energy: 3.377
local terms energy: -530.173029
where:
bonds (distance) C4'-P energy: -115.867
bonds (distance) P-C4' energy: -137.967
flat angles C4'-P-C4' energy: -108.551
flat angles P-C4'-P energy: -91.149
tors. eta vs tors. theta energy: -76.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -990.650483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.650483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.650483 (E_RNA)
where:
Base-Base interactions energy: -541.057
where: short stacking energy: -269.865
Base-Backbone interact. energy: 0.044
local terms energy: -449.637539
where:
bonds (distance) C4'-P energy: -139.483
bonds (distance) P-C4' energy: -105.594
flat angles C4'-P-C4' energy: -103.096
flat angles P-C4'-P energy: -74.580
tors. eta vs tors. theta energy: -26.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -688.517516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.517516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.517516 (E_RNA)
where:
Base-Base interactions energy: -281.271
where: short stacking energy: -184.173
Base-Backbone interact. energy: -0.213
local terms energy: -407.033703
where:
bonds (distance) C4'-P energy: -127.670
bonds (distance) P-C4' energy: -125.841
flat angles C4'-P-C4' energy: -102.850
flat angles P-C4'-P energy: -60.098
tors. eta vs tors. theta energy: 9.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2683.155020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.155020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.155020 (E_RNA)
where:
Base-Base interactions energy: -1864.342
where: short stacking energy: -765.917
Base-Backbone interact. energy: 0.948
local terms energy: -819.760193
where:
bonds (distance) C4'-P energy: -142.849
bonds (distance) P-C4' energy: -145.944
flat angles C4'-P-C4' energy: -174.681
flat angles P-C4'-P energy: -128.704
tors. eta vs tors. theta energy: -227.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -2622.616795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2622.616795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2622.616795 (E_RNA)
where:
Base-Base interactions energy: -1789.139
where: short stacking energy: -780.993
Base-Backbone interact. energy: -2.932
local terms energy: -830.546113
where:
bonds (distance) C4'-P energy: -141.877
bonds (distance) P-C4' energy: -144.001
flat angles C4'-P-C4' energy: -185.757
flat angles P-C4'-P energy: -115.111
tors. eta vs tors. theta energy: -243.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -2467.142015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2467.142015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2467.142015 (E_RNA)
where:
Base-Base interactions energy: -1697.019
where: short stacking energy: -713.839
Base-Backbone interact. energy: -1.040
local terms energy: -769.082490
where:
bonds (distance) C4'-P energy: -133.818
bonds (distance) P-C4' energy: -130.091
flat angles C4'-P-C4' energy: -162.086
flat angles P-C4'-P energy: -119.024
tors. eta vs tors. theta energy: -224.063
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: 3
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -2336.840652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2336.840652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2336.840652 (E_RNA)
where:
Base-Base interactions energy: -1602.245
where: short stacking energy: -692.786
Base-Backbone interact. energy: -1.167
local terms energy: -733.428523
where:
bonds (distance) C4'-P energy: -136.707
bonds (distance) P-C4' energy: -132.669
flat angles C4'-P-C4' energy: -156.717
flat angles P-C4'-P energy: -104.662
tors. eta vs tors. theta energy: -202.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -2167.588539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2167.588539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2167.588539 (E_RNA)
where:
Base-Base interactions energy: -1468.778
where: short stacking energy: -622.986
Base-Backbone interact. energy: -5.616
local terms energy: -693.194526
where:
bonds (distance) C4'-P energy: -110.664
bonds (distance) P-C4' energy: -149.899
flat angles C4'-P-C4' energy: -156.905
flat angles P-C4'-P energy: -91.778
tors. eta vs tors. theta energy: -183.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1823.616224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.616224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.616224 (E_RNA)
where:
Base-Base interactions energy: -1221.261
where: short stacking energy: -525.743
Base-Backbone interact. energy: -5.995
local terms energy: -596.360614
where:
bonds (distance) C4'-P energy: -130.246
bonds (distance) P-C4' energy: -136.075
flat angles C4'-P-C4' energy: -122.584
flat angles P-C4'-P energy: -86.492
tors. eta vs tors. theta energy: -120.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1572.346276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.346276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.346276 (E_RNA)
where:
Base-Base interactions energy: -986.310
where: short stacking energy: -436.741
Base-Backbone interact. energy: -2.052
local terms energy: -583.984618
where:
bonds (distance) C4'-P energy: -132.047
bonds (distance) P-C4' energy: -134.567
flat angles C4'-P-C4' energy: -125.532
flat angles P-C4'-P energy: -89.114
tors. eta vs tors. theta energy: -102.724
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: 465
Temperature: 1.250000
Total energy: -1418.316095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.316095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.316095 (E_RNA)
where:
Base-Base interactions energy: -884.417
where: short stacking energy: -393.007
Base-Backbone interact. energy: 1.383
local terms energy: -535.282508
where:
bonds (distance) C4'-P energy: -116.029
bonds (distance) P-C4' energy: -126.387
flat angles C4'-P-C4' energy: -129.466
flat angles P-C4'-P energy: -77.500
tors. eta vs tors. theta energy: -85.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1052.361998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.361998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.361998 (E_RNA)
where:
Base-Base interactions energy: -584.613
where: short stacking energy: -280.710
Base-Backbone interact. energy: -1.779
local terms energy: -465.969923
where:
bonds (distance) C4'-P energy: -122.057
bonds (distance) P-C4' energy: -132.192
flat angles C4'-P-C4' energy: -103.736
flat angles P-C4'-P energy: -55.342
tors. eta vs tors. theta energy: -52.642
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: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -644.777740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.777740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.777740 (E_RNA)
where:
Base-Base interactions energy: -250.406
where: short stacking energy: -150.832
Base-Backbone interact. energy: -1.029
local terms energy: -393.343039
where:
bonds (distance) C4'-P energy: -122.433
bonds (distance) P-C4' energy: -117.667
flat angles C4'-P-C4' energy: -113.081
flat angles P-C4'-P energy: -58.957
tors. eta vs tors. theta energy: 18.795
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: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2668.138793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2668.138793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2668.138793 (E_RNA)
where:
Base-Base interactions energy: -1836.943
where: short stacking energy: -759.879
Base-Backbone interact. energy: -2.494
local terms energy: -828.702525
where:
bonds (distance) C4'-P energy: -145.136
bonds (distance) P-C4' energy: -161.583
flat angles C4'-P-C4' energy: -179.308
flat angles P-C4'-P energy: -118.041
tors. eta vs tors. theta energy: -224.635
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: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -2616.970301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2616.970301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2616.970301 (E_RNA)
where:
Base-Base interactions energy: -1824.670
where: short stacking energy: -742.016
Base-Backbone interact. energy: -1.611
local terms energy: -790.688789
where:
bonds (distance) C4'-P energy: -147.037
bonds (distance) P-C4' energy: -155.181
flat angles C4'-P-C4' energy: -160.237
flat angles P-C4'-P energy: -104.407
tors. eta vs tors. theta energy: -223.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -2501.391060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.391060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.391060 (E_RNA)
where:
Base-Base interactions energy: -1719.030
where: short stacking energy: -709.317
Base-Backbone interact. energy: -2.386
local terms energy: -779.974690
where:
bonds (distance) C4'-P energy: -137.452
bonds (distance) P-C4' energy: -143.247
flat angles C4'-P-C4' energy: -163.143
flat angles P-C4'-P energy: -109.176
tors. eta vs tors. theta energy: -226.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -2334.350665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2334.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2334.350665 (E_RNA)
where:
Base-Base interactions energy: -1621.072
where: short stacking energy: -684.715
Base-Backbone interact. energy: -2.420
local terms energy: -710.858790
where:
bonds (distance) C4'-P energy: -125.301
bonds (distance) P-C4' energy: -136.357
flat angles C4'-P-C4' energy: -163.130
flat angles P-C4'-P energy: -83.760
tors. eta vs tors. theta energy: -202.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -2163.687723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2163.687723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2163.687723 (E_RNA)
where:
Base-Base interactions energy: -1470.614
where: short stacking energy: -632.835
Base-Backbone interact. energy: -7.025
local terms energy: -686.048387
where:
bonds (distance) C4'-P energy: -118.552
bonds (distance) P-C4' energy: -141.469
flat angles C4'-P-C4' energy: -140.970
flat angles P-C4'-P energy: -93.547
tors. eta vs tors. theta energy: -191.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1866.987146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.987146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.987146 (E_RNA)
where:
Base-Base interactions energy: -1225.762
where: short stacking energy: -550.915
Base-Backbone interact. energy: 2.769
local terms energy: -643.994751
where:
bonds (distance) C4'-P energy: -131.566
bonds (distance) P-C4' energy: -145.343
flat angles C4'-P-C4' energy: -138.733
flat angles P-C4'-P energy: -85.216
tors. eta vs tors. theta energy: -143.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1538.228233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.228233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.228233 (E_RNA)
where:
Base-Base interactions energy: -940.210
where: short stacking energy: -421.982
Base-Backbone interact. energy: -0.699
local terms energy: -597.319879
where:
bonds (distance) C4'-P energy: -131.263
bonds (distance) P-C4' energy: -138.679
flat angles C4'-P-C4' energy: -131.600
flat angles P-C4'-P energy: -92.243
tors. eta vs tors. theta energy: -103.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1422.283815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.283815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.283815 (E_RNA)
where:
Base-Base interactions energy: -880.697
where: short stacking energy: -402.125
Base-Backbone interact. energy: 4.046
local terms energy: -545.632841
where:
bonds (distance) C4'-P energy: -127.439
bonds (distance) P-C4' energy: -133.190
flat angles C4'-P-C4' energy: -103.125
flat angles P-C4'-P energy: -89.645
tors. eta vs tors. theta energy: -92.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1021.176464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.176464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.176464 (E_RNA)
where:
Base-Base interactions energy: -575.992
where: short stacking energy: -275.726
Base-Backbone interact. energy: -1.389
local terms energy: -443.795364
where:
bonds (distance) C4'-P energy: -120.484
bonds (distance) P-C4' energy: -138.348
flat angles C4'-P-C4' energy: -103.269
flat angles P-C4'-P energy: -54.736
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -682.364090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.364090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.364090 (E_RNA)
where:
Base-Base interactions energy: -295.609
where: short stacking energy: -165.655
Base-Backbone interact. energy: 0.063
local terms energy: -386.817952
where:
bonds (distance) C4'-P energy: -116.158
bonds (distance) P-C4' energy: -139.954
flat angles C4'-P-C4' energy: -98.696
flat angles P-C4'-P energy: -44.406
tors. eta vs tors. theta energy: 12.397
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2666.255819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.255819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.255819 (E_RNA)
where:
Base-Base interactions energy: -1852.843
where: short stacking energy: -771.919
Base-Backbone interact. energy: -2.835
local terms energy: -810.578196
where:
bonds (distance) C4'-P energy: -150.562
bonds (distance) P-C4' energy: -150.964
flat angles C4'-P-C4' energy: -178.384
flat angles P-C4'-P energy: -113.605
tors. eta vs tors. theta energy: -217.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2600.213537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2600.213537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2600.213537 (E_RNA)
where:
Base-Base interactions energy: -1794.174
where: short stacking energy: -746.607
Base-Backbone interact. energy: -4.543
local terms energy: -801.496654
where:
bonds (distance) C4'-P energy: -135.472
bonds (distance) P-C4' energy: -145.864
flat angles C4'-P-C4' energy: -174.058
flat angles P-C4'-P energy: -113.197
tors. eta vs tors. theta energy: -232.905
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: 467
Temperature: 1.000000
Total energy: -2455.439927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2455.439927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2455.439927 (E_RNA)
where:
Base-Base interactions energy: -1696.973
where: short stacking energy: -704.533
Base-Backbone interact. energy: -4.472
local terms energy: -753.994902
where:
bonds (distance) C4'-P energy: -130.682
bonds (distance) P-C4' energy: -144.152
flat angles C4'-P-C4' energy: -173.554
flat angles P-C4'-P energy: -92.768
tors. eta vs tors. theta energy: -212.840
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: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -2328.080427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.080427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.080427 (E_RNA)
where:
Base-Base interactions energy: -1580.104
where: short stacking energy: -639.304
Base-Backbone interact. energy: -1.241
local terms energy: -746.735185
where:
bonds (distance) C4'-P energy: -145.521
bonds (distance) P-C4' energy: -131.752
flat angles C4'-P-C4' energy: -166.967
flat angles P-C4'-P energy: -111.624
tors. eta vs tors. theta energy: -190.871
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: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -2156.808242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2156.808242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2156.808242 (E_RNA)
where:
Base-Base interactions energy: -1474.770
where: short stacking energy: -599.437
Base-Backbone interact. energy: -5.605
local terms energy: -676.433429
where:
bonds (distance) C4'-P energy: -118.210
bonds (distance) P-C4' energy: -146.101
flat angles C4'-P-C4' energy: -137.463
flat angles P-C4'-P energy: -95.257
tors. eta vs tors. theta energy: -179.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1855.203690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.203690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.203690 (E_RNA)
where:
Base-Base interactions energy: -1212.139
where: short stacking energy: -530.784
Base-Backbone interact. energy: 2.817
local terms energy: -645.882234
where:
bonds (distance) C4'-P energy: -125.485
bonds (distance) P-C4' energy: -144.117
flat angles C4'-P-C4' energy: -134.872
flat angles P-C4'-P energy: -112.845
tors. eta vs tors. theta energy: -128.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1487.086410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.086410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.086410 (E_RNA)
where:
Base-Base interactions energy: -928.212
where: short stacking energy: -420.087
Base-Backbone interact. energy: 2.355
local terms energy: -561.229832
where:
bonds (distance) C4'-P energy: -112.270
bonds (distance) P-C4' energy: -132.147
flat angles C4'-P-C4' energy: -131.925
flat angles P-C4'-P energy: -86.818
tors. eta vs tors. theta energy: -98.070
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: 4
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1395.065467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.065467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.065467 (E_RNA)
where:
Base-Base interactions energy: -862.551
where: short stacking energy: -414.086
Base-Backbone interact. energy: 0.272
local terms energy: -532.786746
where:
bonds (distance) C4'-P energy: -115.571
bonds (distance) P-C4' energy: -128.083
flat angles C4'-P-C4' energy: -118.324
flat angles P-C4'-P energy: -75.964
tors. eta vs tors. theta energy: -94.844
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: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -999.679986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.679986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.679986 (E_RNA)
where:
Base-Base interactions energy: -551.545
where: short stacking energy: -274.108
Base-Backbone interact. energy: -0.139
local terms energy: -447.995954
where:
bonds (distance) C4'-P energy: -113.162
bonds (distance) P-C4' energy: -123.526
flat angles C4'-P-C4' energy: -124.045
flat angles P-C4'-P energy: -64.685
tors. eta vs tors. theta energy: -22.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -643.642423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.642423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.642423 (E_RNA)
where:
Base-Base interactions energy: -256.599
where: short stacking energy: -158.050
Base-Backbone interact. energy: 0.075
local terms energy: -387.118718
where:
bonds (distance) C4'-P energy: -109.369
bonds (distance) P-C4' energy: -135.492
flat angles C4'-P-C4' energy: -109.659
flat angles P-C4'-P energy: -57.960
tors. eta vs tors. theta energy: 25.361
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: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2665.634953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.634953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.634953 (E_RNA)
where:
Base-Base interactions energy: -1864.380
where: short stacking energy: -762.551
Base-Backbone interact. energy: -3.290
local terms energy: -797.964929
where:
bonds (distance) C4'-P energy: -151.336
bonds (distance) P-C4' energy: -131.449
flat angles C4'-P-C4' energy: -169.499
flat angles P-C4'-P energy: -120.016
tors. eta vs tors. theta energy: -225.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2569.409603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2569.409603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2569.409603 (E_RNA)
where:
Base-Base interactions energy: -1750.675
where: short stacking energy: -749.011
Base-Backbone interact. energy: 5.281
local terms energy: -824.015478
where:
bonds (distance) C4'-P energy: -141.986
bonds (distance) P-C4' energy: -152.603
flat angles C4'-P-C4' energy: -176.626
flat angles P-C4'-P energy: -116.369
tors. eta vs tors. theta energy: -236.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -2487.627686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2487.627686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2487.627686 (E_RNA)
where:
Base-Base interactions energy: -1703.551
where: short stacking energy: -730.504
Base-Backbone interact. energy: -0.798
local terms energy: -783.279528
where:
bonds (distance) C4'-P energy: -134.334
bonds (distance) P-C4' energy: -150.466
flat angles C4'-P-C4' energy: -160.237
flat angles P-C4'-P energy: -119.863
tors. eta vs tors. theta energy: -218.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -2346.916971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2346.916971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2346.916971 (E_RNA)
where:
Base-Base interactions energy: -1627.289
where: short stacking energy: -669.439
Base-Backbone interact. energy: -3.942
local terms energy: -715.686390
where:
bonds (distance) C4'-P energy: -129.568
bonds (distance) P-C4' energy: -140.159
flat angles C4'-P-C4' energy: -151.912
flat angles P-C4'-P energy: -94.857
tors. eta vs tors. theta energy: -199.190
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: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -2107.701932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.701932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.701932 (E_RNA)
where:
Base-Base interactions energy: -1429.604
where: short stacking energy: -564.599
Base-Backbone interact. energy: -1.465
local terms energy: -676.633659
where:
bonds (distance) C4'-P energy: -121.466
bonds (distance) P-C4' energy: -152.802
flat angles C4'-P-C4' energy: -150.954
flat angles P-C4'-P energy: -97.996
tors. eta vs tors. theta energy: -153.416
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: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1932.703033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.703033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.703033 (E_RNA)
where:
Base-Base interactions energy: -1286.808
where: short stacking energy: -530.608
Base-Backbone interact. energy: -1.773
local terms energy: -644.122147
where:
bonds (distance) C4'-P energy: -124.473
bonds (distance) P-C4' energy: -135.663
flat angles C4'-P-C4' energy: -140.263
flat angles P-C4'-P energy: -92.242
tors. eta vs tors. theta energy: -151.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1498.978660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.978660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.978660 (E_RNA)
where:
Base-Base interactions energy: -924.842
where: short stacking energy: -424.671
Base-Backbone interact. energy: -2.868
local terms energy: -571.268834
where:
bonds (distance) C4'-P energy: -125.861
bonds (distance) P-C4' energy: -137.467
flat angles C4'-P-C4' energy: -127.813
flat angles P-C4'-P energy: -93.420
tors. eta vs tors. theta energy: -86.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1374.563614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.563614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.563614 (E_RNA)
where:
Base-Base interactions energy: -857.063
where: short stacking energy: -396.021
Base-Backbone interact. energy: -0.387
local terms energy: -517.113600
where:
bonds (distance) C4'-P energy: -113.117
bonds (distance) P-C4' energy: -134.799
flat angles C4'-P-C4' energy: -140.059
flat angles P-C4'-P energy: -59.946
tors. eta vs tors. theta energy: -69.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -980.309996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.309996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.309996 (E_RNA)
where:
Base-Base interactions energy: -530.526
where: short stacking energy: -254.980
Base-Backbone interact. energy: -2.345
local terms energy: -447.438536
where:
bonds (distance) C4'-P energy: -116.826
bonds (distance) P-C4' energy: -114.101
flat angles C4'-P-C4' energy: -122.405
flat angles P-C4'-P energy: -76.397
tors. eta vs tors. theta energy: -17.710
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: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -676.717792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.717792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.717792 (E_RNA)
where:
Base-Base interactions energy: -286.778
where: short stacking energy: -157.731
Base-Backbone interact. energy: 2.233
local terms energy: -392.172803
where:
bonds (distance) C4'-P energy: -107.837
bonds (distance) P-C4' energy: -132.905
flat angles C4'-P-C4' energy: -110.935
flat angles P-C4'-P energy: -56.884
tors. eta vs tors. theta energy: 16.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2675.234814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.234814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.234814 (E_RNA)
where:
Base-Base interactions energy: -1866.588
where: short stacking energy: -768.598
Base-Backbone interact. energy: -3.421
local terms energy: -805.226366
where:
bonds (distance) C4'-P energy: -145.573
bonds (distance) P-C4' energy: -137.911
flat angles C4'-P-C4' energy: -177.947
flat angles P-C4'-P energy: -111.103
tors. eta vs tors. theta energy: -232.692
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: 2, replica: 5
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -2603.070030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.070030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.070030 (E_RNA)
where:
Base-Base interactions energy: -1791.572
where: short stacking energy: -741.472
Base-Backbone interact. energy: -3.795
local terms energy: -807.703025
where:
bonds (distance) C4'-P energy: -158.079
bonds (distance) P-C4' energy: -141.020
flat angles C4'-P-C4' energy: -166.454
flat angles P-C4'-P energy: -105.462
tors. eta vs tors. theta energy: -236.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -2505.527148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.527148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.527148 (E_RNA)
where:
Base-Base interactions energy: -1731.482
where: short stacking energy: -731.935
Base-Backbone interact. energy: -2.620
local terms energy: -771.424994
where:
bonds (distance) C4'-P energy: -158.544
bonds (distance) P-C4' energy: -131.877
flat angles C4'-P-C4' energy: -161.344
flat angles P-C4'-P energy: -98.540
tors. eta vs tors. theta energy: -221.120
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: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -2325.959174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2325.959174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2325.959174 (E_RNA)
where:
Base-Base interactions energy: -1600.830
where: short stacking energy: -661.355
Base-Backbone interact. energy: 0.840
local terms energy: -725.969050
where:
bonds (distance) C4'-P energy: -113.022
bonds (distance) P-C4' energy: -149.616
flat angles C4'-P-C4' energy: -164.002
flat angles P-C4'-P energy: -96.093
tors. eta vs tors. theta energy: -203.236
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: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -2164.270294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2164.270294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2164.270294 (E_RNA)
where:
Base-Base interactions energy: -1451.404
where: short stacking energy: -611.986
Base-Backbone interact. energy: -1.911
local terms energy: -710.955650
where:
bonds (distance) C4'-P energy: -145.454
bonds (distance) P-C4' energy: -124.194
flat angles C4'-P-C4' energy: -159.249
flat angles P-C4'-P energy: -95.632
tors. eta vs tors. theta energy: -186.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1822.860413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.860413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.860413 (E_RNA)
where:
Base-Base interactions energy: -1157.699
where: short stacking energy: -532.410
Base-Backbone interact. energy: 1.276
local terms energy: -666.437633
where:
bonds (distance) C4'-P energy: -137.542
bonds (distance) P-C4' energy: -141.420
flat angles C4'-P-C4' energy: -161.613
flat angles P-C4'-P energy: -89.097
tors. eta vs tors. theta energy: -136.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1486.886048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.886048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.886048 (E_RNA)
where:
Base-Base interactions energy: -902.943
where: short stacking energy: -432.450
Base-Backbone interact. energy: 1.103
local terms energy: -585.045461
where:
bonds (distance) C4'-P energy: -132.701
bonds (distance) P-C4' energy: -146.139
flat angles C4'-P-C4' energy: -130.951
flat angles P-C4'-P energy: -85.718
tors. eta vs tors. theta energy: -89.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1348.572083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.572083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.572083 (E_RNA)
where:
Base-Base interactions energy: -827.404
where: short stacking energy: -391.376
Base-Backbone interact. energy: -1.285
local terms energy: -519.883580
where:
bonds (distance) C4'-P energy: -132.647
bonds (distance) P-C4' energy: -120.018
flat angles C4'-P-C4' energy: -118.512
flat angles P-C4'-P energy: -70.472
tors. eta vs tors. theta energy: -78.234
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: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -967.613763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.613763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.613763 (E_RNA)
where:
Base-Base interactions energy: -489.744
where: short stacking energy: -252.694
Base-Backbone interact. energy: 1.198
local terms energy: -479.067461
where:
bonds (distance) C4'-P energy: -130.984
bonds (distance) P-C4' energy: -129.645
flat angles C4'-P-C4' energy: -131.415
flat angles P-C4'-P energy: -78.465
tors. eta vs tors. theta energy: -8.557
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: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -678.219845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.219845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.219845 (E_RNA)
where:
Base-Base interactions energy: -287.119
where: short stacking energy: -170.750
Base-Backbone interact. energy: -2.306
local terms energy: -388.795821
where:
bonds (distance) C4'-P energy: -118.474
bonds (distance) P-C4' energy: -123.066
flat angles C4'-P-C4' energy: -94.693
flat angles P-C4'-P energy: -71.148
tors. eta vs tors. theta energy: 18.585
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: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2699.826911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2699.826911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2699.826911 (E_RNA)
where:
Base-Base interactions energy: -1892.790
where: short stacking energy: -761.072
Base-Backbone interact. energy: -2.235
local terms energy: -804.802414
where:
bonds (distance) C4'-P energy: -137.592
bonds (distance) P-C4' energy: -161.017
flat angles C4'-P-C4' energy: -167.173
flat angles P-C4'-P energy: -109.046
tors. eta vs tors. theta energy: -229.975
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: 5
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -2603.443455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2603.443455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2603.443455 (E_RNA)
where:
Base-Base interactions energy: -1773.910
where: short stacking energy: -760.977
Base-Backbone interact. energy: -3.009
local terms energy: -826.525167
where:
bonds (distance) C4'-P energy: -157.318
bonds (distance) P-C4' energy: -144.330
flat angles C4'-P-C4' energy: -175.081
flat angles P-C4'-P energy: -109.902
tors. eta vs tors. theta energy: -239.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -2486.768988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.768988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.768988 (E_RNA)
where:
Base-Base interactions energy: -1721.951
where: short stacking energy: -705.170
Base-Backbone interact. energy: -2.700
local terms energy: -762.117560
where:
bonds (distance) C4'-P energy: -131.889
bonds (distance) P-C4' energy: -134.784
flat angles C4'-P-C4' energy: -162.825
flat angles P-C4'-P energy: -108.780
tors. eta vs tors. theta energy: -223.840
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: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -2328.013727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.013727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.013727 (E_RNA)
where:
Base-Base interactions energy: -1596.849
where: short stacking energy: -648.851
Base-Backbone interact. energy: 4.730
local terms energy: -735.894402
where:
bonds (distance) C4'-P energy: -125.228
bonds (distance) P-C4' energy: -136.333
flat angles C4'-P-C4' energy: -170.534
flat angles P-C4'-P energy: -104.148
tors. eta vs tors. theta energy: -199.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -2172.909770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2172.909770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2172.909770 (E_RNA)
where:
Base-Base interactions energy: -1463.192
where: short stacking energy: -612.951
Base-Backbone interact. energy: -3.604
local terms energy: -706.113902
where:
bonds (distance) C4'-P energy: -147.983
bonds (distance) P-C4' energy: -140.430
flat angles C4'-P-C4' energy: -136.686
flat angles P-C4'-P energy: -98.021
tors. eta vs tors. theta energy: -182.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1794.086562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.086562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.086562 (E_RNA)
where:
Base-Base interactions energy: -1183.485
where: short stacking energy: -515.252
Base-Backbone interact. energy: 1.759
local terms energy: -612.360895
where:
bonds (distance) C4'-P energy: -136.040
bonds (distance) P-C4' energy: -135.134
flat angles C4'-P-C4' energy: -125.730
flat angles P-C4'-P energy: -93.789
tors. eta vs tors. theta energy: -121.669
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: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1516.530968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.530968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.530968 (E_RNA)
where:
Base-Base interactions energy: -971.501
where: short stacking energy: -459.310
Base-Backbone interact. energy: 1.508
local terms energy: -546.537193
where:
bonds (distance) C4'-P energy: -119.097
bonds (distance) P-C4' energy: -138.321
flat angles C4'-P-C4' energy: -138.937
flat angles P-C4'-P energy: -62.460
tors. eta vs tors. theta energy: -87.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1358.242640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.242640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.242640 (E_RNA)
where:
Base-Base interactions energy: -837.893
where: short stacking energy: -385.473
Base-Backbone interact. energy: 0.287
local terms energy: -520.636638
where:
bonds (distance) C4'-P energy: -114.869
bonds (distance) P-C4' energy: -139.821
flat angles C4'-P-C4' energy: -112.994
flat angles P-C4'-P energy: -84.741
tors. eta vs tors. theta energy: -68.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1000.402966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.402966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.402966 (E_RNA)
where:
Base-Base interactions energy: -545.405
where: short stacking energy: -261.621
Base-Backbone interact. energy: 1.957
local terms energy: -456.955008
where:
bonds (distance) C4'-P energy: -123.089
bonds (distance) P-C4' energy: -126.494
flat angles C4'-P-C4' energy: -113.128
flat angles P-C4'-P energy: -66.957
tors. eta vs tors. theta energy: -27.287
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: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -648.966972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.966972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.966972 (E_RNA)
where:
Base-Base interactions energy: -282.774
where: short stacking energy: -161.100
Base-Backbone interact. energy: 0.279
local terms energy: -366.472112
where:
bonds (distance) C4'-P energy: -128.077
bonds (distance) P-C4' energy: -126.463
flat angles C4'-P-C4' energy: -101.721
flat angles P-C4'-P energy: -41.329
tors. eta vs tors. theta energy: 31.118
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: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -2680.244969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2680.244969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2680.244969 (E_RNA)
where:
Base-Base interactions energy: -1854.341
where: short stacking energy: -767.596
Base-Backbone interact. energy: 0.572
local terms energy: -826.475489
where:
bonds (distance) C4'-P energy: -144.127
bonds (distance) P-C4' energy: -162.331
flat angles C4'-P-C4' energy: -174.470
flat angles P-C4'-P energy: -111.021
tors. eta vs tors. theta energy: -234.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -2592.688878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2592.688878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2592.688878 (E_RNA)
where:
Base-Base interactions energy: -1782.767
where: short stacking energy: -751.878
Base-Backbone interact. energy: 2.055
local terms energy: -811.976034
where:
bonds (distance) C4'-P energy: -143.817
bonds (distance) P-C4' energy: -151.045
flat angles C4'-P-C4' energy: -167.628
flat angles P-C4'-P energy: -104.028
tors. eta vs tors. theta energy: -245.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -2459.783906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2459.783906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2459.783906 (E_RNA)
where:
Base-Base interactions energy: -1679.746
where: short stacking energy: -709.669
Base-Backbone interact. energy: 2.918
local terms energy: -782.955849
where:
bonds (distance) C4'-P energy: -131.486
bonds (distance) P-C4' energy: -152.741
flat angles C4'-P-C4' energy: -166.630
flat angles P-C4'-P energy: -115.426
tors. eta vs tors. theta energy: -216.673
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: 3
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -2333.831242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.831242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.831242 (E_RNA)
where:
Base-Base interactions energy: -1604.550
where: short stacking energy: -661.721
Base-Backbone interact. energy: 0.145
local terms energy: -729.426080
where:
bonds (distance) C4'-P energy: -132.052
bonds (distance) P-C4' energy: -131.415
flat angles C4'-P-C4' energy: -153.772
flat angles P-C4'-P energy: -107.186
tors. eta vs tors. theta energy: -205.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -2148.695164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2148.695164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2148.695164 (E_RNA)
where:
Base-Base interactions energy: -1453.088
where: short stacking energy: -637.060
Base-Backbone interact. energy: -2.838
local terms energy: -692.769382
where:
bonds (distance) C4'-P energy: -136.717
bonds (distance) P-C4' energy: -135.217
flat angles C4'-P-C4' energy: -144.982
flat angles P-C4'-P energy: -103.346
tors. eta vs tors. theta energy: -172.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1783.052807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.052807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.052807 (E_RNA)
where:
Base-Base interactions energy: -1131.568
where: short stacking energy: -517.969
Base-Backbone interact. energy: -2.408
local terms energy: -649.076549
where:
bonds (distance) C4'-P energy: -131.111
bonds (distance) P-C4' energy: -133.191
flat angles C4'-P-C4' energy: -158.344
flat angles P-C4'-P energy: -89.255
tors. eta vs tors. theta energy: -137.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1568.510833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.510833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.510833 (E_RNA)
where:
Base-Base interactions energy: -964.757
where: short stacking energy: -428.807
Base-Backbone interact. energy: -2.710
local terms energy: -601.043669
where:
bonds (distance) C4'-P energy: -145.515
bonds (distance) P-C4' energy: -135.669
flat angles C4'-P-C4' energy: -140.273
flat angles P-C4'-P energy: -94.795
tors. eta vs tors. theta energy: -84.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1412.200326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.200326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.200326 (E_RNA)
where:
Base-Base interactions energy: -856.705
where: short stacking energy: -399.811
Base-Backbone interact. energy: 0.554
local terms energy: -556.049341
where:
bonds (distance) C4'-P energy: -137.569
bonds (distance) P-C4' energy: -112.344
flat angles C4'-P-C4' energy: -145.371
flat angles P-C4'-P energy: -70.015
tors. eta vs tors. theta energy: -90.750
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: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1084.885969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.885969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.885969 (E_RNA)
where:
Base-Base interactions energy: -637.020
where: short stacking energy: -311.252
Base-Backbone interact. energy: 7.774
local terms energy: -455.639399
where:
bonds (distance) C4'-P energy: -129.832
bonds (distance) P-C4' energy: -116.155
flat angles C4'-P-C4' energy: -120.865
flat angles P-C4'-P energy: -58.038
tors. eta vs tors. theta energy: -30.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -725.275473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.275473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.275473 (E_RNA)
where:
Base-Base interactions energy: -346.440
where: short stacking energy: -227.712
Base-Backbone interact. energy: -5.399
local terms energy: -373.436176
where:
bonds (distance) C4'-P energy: -100.442
bonds (distance) P-C4' energy: -117.228
flat angles C4'-P-C4' energy: -97.171
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: 2.156
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: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2707.611468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2707.611468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2707.611468 (E_RNA)
where:
Base-Base interactions energy: -1895.877
where: short stacking energy: -769.330
Base-Backbone interact. energy: -0.976
local terms energy: -810.758804
where:
bonds (distance) C4'-P energy: -151.927
bonds (distance) P-C4' energy: -149.570
flat angles C4'-P-C4' energy: -164.171
flat angles P-C4'-P energy: -118.213
tors. eta vs tors. theta energy: -226.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2595.847247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2595.847247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2595.847247 (E_RNA)
where:
Base-Base interactions energy: -1785.741
where: short stacking energy: -773.397
Base-Backbone interact. energy: -3.910
local terms energy: -806.195865
where:
bonds (distance) C4'-P energy: -138.252
bonds (distance) P-C4' energy: -137.643
flat angles C4'-P-C4' energy: -178.586
flat angles P-C4'-P energy: -113.271
tors. eta vs tors. theta energy: -238.444
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: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -2488.464702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2488.464702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2488.464702 (E_RNA)
where:
Base-Base interactions energy: -1736.220
where: short stacking energy: -697.808
Base-Backbone interact. energy: -5.253
local terms energy: -746.991796
where:
bonds (distance) C4'-P energy: -124.180
bonds (distance) P-C4' energy: -143.241
flat angles C4'-P-C4' energy: -161.540
flat angles P-C4'-P energy: -104.113
tors. eta vs tors. theta energy: -213.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -2353.140695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2353.140695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2353.140695 (E_RNA)
where:
Base-Base interactions energy: -1595.606
where: short stacking energy: -667.819
Base-Backbone interact. energy: 1.987
local terms energy: -759.521404
where:
bonds (distance) C4'-P energy: -152.650
bonds (distance) P-C4' energy: -150.893
flat angles C4'-P-C4' energy: -157.990
flat angles P-C4'-P energy: -98.317
tors. eta vs tors. theta energy: -199.672
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: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -2140.753724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2140.753724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2140.753724 (E_RNA)
where:
Base-Base interactions energy: -1420.558
where: short stacking energy: -603.343
Base-Backbone interact. energy: 0.747
local terms energy: -720.942875
where:
bonds (distance) C4'-P energy: -141.178
bonds (distance) P-C4' energy: -136.233
flat angles C4'-P-C4' energy: -162.266
flat angles P-C4'-P energy: -108.509
tors. eta vs tors. theta energy: -172.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1788.059938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.059938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.059938 (E_RNA)
where:
Base-Base interactions energy: -1146.554
where: short stacking energy: -490.830
Base-Backbone interact. energy: -3.090
local terms energy: -638.415738
where:
bonds (distance) C4'-P energy: -152.475
bonds (distance) P-C4' energy: -131.992
flat angles C4'-P-C4' energy: -143.811
flat angles P-C4'-P energy: -85.764
tors. eta vs tors. theta energy: -124.374
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: 472
Temperature: 1.200000
Total energy: -1569.293369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.293369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.293369 (E_RNA)
where:
Base-Base interactions energy: -992.716
where: short stacking energy: -449.198
Base-Backbone interact. energy: -1.234
local terms energy: -575.342986
where:
bonds (distance) C4'-P energy: -128.572
bonds (distance) P-C4' energy: -135.058
flat angles C4'-P-C4' energy: -132.321
flat angles P-C4'-P energy: -79.276
tors. eta vs tors. theta energy: -100.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1352.194673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.194673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.194673 (E_RNA)
where:
Base-Base interactions energy: -891.242
where: short stacking energy: -410.548
Base-Backbone interact. energy: 3.713
local terms energy: -464.665922
where:
bonds (distance) C4'-P energy: -119.640
bonds (distance) P-C4' energy: -111.371
flat angles C4'-P-C4' energy: -128.010
flat angles P-C4'-P energy: -51.414
tors. eta vs tors. theta energy: -54.230
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: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1066.234332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.234332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.234332 (E_RNA)
where:
Base-Base interactions energy: -613.101
where: short stacking energy: -280.008
Base-Backbone interact. energy: -5.702
local terms energy: -447.431542
where:
bonds (distance) C4'-P energy: -100.338
bonds (distance) P-C4' energy: -136.895
flat angles C4'-P-C4' energy: -113.354
flat angles P-C4'-P energy: -62.963
tors. eta vs tors. theta energy: -33.881
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: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -675.589145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.589145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.589145 (E_RNA)
where:
Base-Base interactions energy: -303.414
where: short stacking energy: -185.235
Base-Backbone interact. energy: -1.393
local terms energy: -370.782719
where:
bonds (distance) C4'-P energy: -122.894
bonds (distance) P-C4' energy: -120.172
flat angles C4'-P-C4' energy: -101.955
flat angles P-C4'-P energy: -51.747
tors. eta vs tors. theta energy: 25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2729.699368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2729.699368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2729.699368 (E_RNA)
where:
Base-Base interactions energy: -1897.643
where: short stacking energy: -786.127
Base-Backbone interact. energy: -4.133
local terms energy: -827.923611
where:
bonds (distance) C4'-P energy: -151.790
bonds (distance) P-C4' energy: -148.953
flat angles C4'-P-C4' energy: -167.614
flat angles P-C4'-P energy: -127.524
tors. eta vs tors. theta energy: -232.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2620.368160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2620.368160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2620.368160 (E_RNA)
where:
Base-Base interactions energy: -1789.231
where: short stacking energy: -760.288
Base-Backbone interact. energy: -1.977
local terms energy: -829.159865
where:
bonds (distance) C4'-P energy: -150.596
bonds (distance) P-C4' energy: -151.262
flat angles C4'-P-C4' energy: -179.050
flat angles P-C4'-P energy: -105.042
tors. eta vs tors. theta energy: -243.210
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: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -2448.059247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2448.059247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2448.059247 (E_RNA)
where:
Base-Base interactions energy: -1687.400
where: short stacking energy: -699.911
Base-Backbone interact. energy: -3.824
local terms energy: -756.835275
where:
bonds (distance) C4'-P energy: -119.844
bonds (distance) P-C4' energy: -158.010
flat angles C4'-P-C4' energy: -155.911
flat angles P-C4'-P energy: -117.429
tors. eta vs tors. theta energy: -205.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -2311.682093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2311.682093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2311.682093 (E_RNA)
where:
Base-Base interactions energy: -1579.466
where: short stacking energy: -641.712
Base-Backbone interact. energy: -1.164
local terms energy: -731.052069
where:
bonds (distance) C4'-P energy: -140.217
bonds (distance) P-C4' energy: -124.831
flat angles C4'-P-C4' energy: -161.768
flat angles P-C4'-P energy: -103.092
tors. eta vs tors. theta energy: -201.144
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: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -2082.754680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.754680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.754680 (E_RNA)
where:
Base-Base interactions energy: -1378.115
where: short stacking energy: -578.903
Base-Backbone interact. energy: -3.814
local terms energy: -700.825767
where:
bonds (distance) C4'-P energy: -137.027
bonds (distance) P-C4' energy: -146.641
flat angles C4'-P-C4' energy: -156.388
flat angles P-C4'-P energy: -103.816
tors. eta vs tors. theta energy: -156.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1914.256128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.256128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.256128 (E_RNA)
where:
Base-Base interactions energy: -1283.523
where: short stacking energy: -547.002
Base-Backbone interact. energy: -1.433
local terms energy: -629.299949
where:
bonds (distance) C4'-P energy: -121.006
bonds (distance) P-C4' energy: -140.530
flat angles C4'-P-C4' energy: -130.453
flat angles P-C4'-P energy: -99.694
tors. eta vs tors. theta energy: -137.617
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: 7, replica: 4
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1503.866654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.866654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.866654 (E_RNA)
where:
Base-Base interactions energy: -931.253
where: short stacking energy: -439.185
Base-Backbone interact. energy: -1.507
local terms energy: -571.106250
where:
bonds (distance) C4'-P energy: -122.284
bonds (distance) P-C4' energy: -126.757
flat angles C4'-P-C4' energy: -134.636
flat angles P-C4'-P energy: -83.474
tors. eta vs tors. theta energy: -103.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1387.205295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.205295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.205295 (E_RNA)
where:
Base-Base interactions energy: -861.176
where: short stacking energy: -382.126
Base-Backbone interact. energy: 7.450
local terms energy: -533.479176
where:
bonds (distance) C4'-P energy: -111.731
bonds (distance) P-C4' energy: -131.332
flat angles C4'-P-C4' energy: -128.414
flat angles P-C4'-P energy: -89.373
tors. eta vs tors. theta energy: -72.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1066.520232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.520232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.520232 (E_RNA)
where:
Base-Base interactions energy: -601.148
where: short stacking energy: -301.149
Base-Backbone interact. energy: 2.668
local terms energy: -468.039695
where:
bonds (distance) C4'-P energy: -126.603
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -113.185
flat angles P-C4'-P energy: -76.785
tors. eta vs tors. theta energy: -28.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -644.284574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.284574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.284574 (E_RNA)
where:
Base-Base interactions energy: -274.380
where: short stacking energy: -199.592
Base-Backbone interact. energy: -0.887
local terms energy: -369.017149
where:
bonds (distance) C4'-P energy: -116.488
bonds (distance) P-C4' energy: -121.456
flat angles C4'-P-C4' energy: -111.710
flat angles P-C4'-P energy: -49.119
tors. eta vs tors. theta energy: 29.756
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: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2695.787593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2695.787593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2695.787593 (E_RNA)
where:
Base-Base interactions energy: -1851.914
where: short stacking energy: -761.830
Base-Backbone interact. energy: 1.024
local terms energy: -844.897626
where:
bonds (distance) C4'-P energy: -162.726
bonds (distance) P-C4' energy: -158.949
flat angles C4'-P-C4' energy: -178.696
flat angles P-C4'-P energy: -117.565
tors. eta vs tors. theta energy: -226.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2608.636316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2608.636316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2608.636316 (E_RNA)
where:
Base-Base interactions energy: -1777.746
where: short stacking energy: -746.086
Base-Backbone interact. energy: 0.538
local terms energy: -831.428361
where:
bonds (distance) C4'-P energy: -150.142
bonds (distance) P-C4' energy: -160.784
flat angles C4'-P-C4' energy: -164.444
flat angles P-C4'-P energy: -118.566
tors. eta vs tors. theta energy: -237.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -2461.010219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2461.010219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2461.010219 (E_RNA)
where:
Base-Base interactions energy: -1670.129
where: short stacking energy: -696.514
Base-Backbone interact. energy: -0.152
local terms energy: -790.728879
where:
bonds (distance) C4'-P energy: -147.488
bonds (distance) P-C4' energy: -151.999
flat angles C4'-P-C4' energy: -159.651
flat angles P-C4'-P energy: -114.513
tors. eta vs tors. theta energy: -217.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -2332.782755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2332.782755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2332.782755 (E_RNA)
where:
Base-Base interactions energy: -1596.961
where: short stacking energy: -671.762
Base-Backbone interact. energy: -1.202
local terms energy: -734.619290
where:
bonds (distance) C4'-P energy: -137.255
bonds (distance) P-C4' energy: -123.889
flat angles C4'-P-C4' energy: -161.315
flat angles P-C4'-P energy: -107.662
tors. eta vs tors. theta energy: -204.498
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: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -2088.206265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.206265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.206265 (E_RNA)
where:
Base-Base interactions energy: -1424.458
where: short stacking energy: -581.666
Base-Backbone interact. energy: -2.123
local terms energy: -661.624913
where:
bonds (distance) C4'-P energy: -120.092
bonds (distance) P-C4' energy: -127.253
flat angles C4'-P-C4' energy: -152.607
flat angles P-C4'-P energy: -107.436
tors. eta vs tors. theta energy: -154.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1891.040424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.040424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.040424 (E_RNA)
where:
Base-Base interactions energy: -1266.887
where: short stacking energy: -536.481
Base-Backbone interact. energy: 3.514
local terms energy: -627.667517
where:
bonds (distance) C4'-P energy: -132.490
bonds (distance) P-C4' energy: -124.720
flat angles C4'-P-C4' energy: -140.262
flat angles P-C4'-P energy: -87.531
tors. eta vs tors. theta energy: -142.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1527.059498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.059498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.059498 (E_RNA)
where:
Base-Base interactions energy: -921.517
where: short stacking energy: -435.827
Base-Backbone interact. energy: -1.561
local terms energy: -603.982306
where:
bonds (distance) C4'-P energy: -130.469
bonds (distance) P-C4' energy: -139.848
flat angles C4'-P-C4' energy: -142.072
flat angles P-C4'-P energy: -93.634
tors. eta vs tors. theta energy: -97.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1372.117002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.117002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.117002 (E_RNA)
where:
Base-Base interactions energy: -846.960
where: short stacking energy: -374.122
Base-Backbone interact. energy: -1.087
local terms energy: -524.070448
where:
bonds (distance) C4'-P energy: -127.550
bonds (distance) P-C4' energy: -118.939
flat angles C4'-P-C4' energy: -114.883
flat angles P-C4'-P energy: -78.831
tors. eta vs tors. theta energy: -83.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1079.956222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.956222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.956222 (E_RNA)
where:
Base-Base interactions energy: -609.284
where: short stacking energy: -275.471
Base-Backbone interact. energy: -1.606
local terms energy: -469.066253
where:
bonds (distance) C4'-P energy: -108.223
bonds (distance) P-C4' energy: -130.862
flat angles C4'-P-C4' energy: -115.199
flat angles P-C4'-P energy: -84.470
tors. eta vs tors. theta energy: -30.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -625.223365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.223365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.223365 (E_RNA)
where:
Base-Base interactions energy: -252.942
where: short stacking energy: -160.008
Base-Backbone interact. energy: -3.261
local terms energy: -369.020812
where:
bonds (distance) C4'-P energy: -109.450
bonds (distance) P-C4' energy: -126.461
flat angles C4'-P-C4' energy: -74.053
flat angles P-C4'-P energy: -68.296
tors. eta vs tors. theta energy: 9.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2708.872019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.872019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.872019 (E_RNA)
where:
Base-Base interactions energy: -1890.305
where: short stacking energy: -766.269
Base-Backbone interact. energy: 1.936
local terms energy: -820.502843
where:
bonds (distance) C4'-P energy: -136.775
bonds (distance) P-C4' energy: -169.382
flat angles C4'-P-C4' energy: -171.591
flat angles P-C4'-P energy: -106.195
tors. eta vs tors. theta energy: -236.560
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: 475
Temperature: 0.950000
Total energy: -2621.686160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.686160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.686160 (E_RNA)
where:
Base-Base interactions energy: -1789.729
where: short stacking energy: -754.742
Base-Backbone interact. energy: -2.272
local terms energy: -829.684623
where:
bonds (distance) C4'-P energy: -158.784
bonds (distance) P-C4' energy: -142.326
flat angles C4'-P-C4' energy: -168.392
flat angles P-C4'-P energy: -126.514
tors. eta vs tors. theta energy: -233.669
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: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -2486.570105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2486.570105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2486.570105 (E_RNA)
where:
Base-Base interactions energy: -1723.217
where: short stacking energy: -731.252
Base-Backbone interact. energy: -2.407
local terms energy: -760.946532
where:
bonds (distance) C4'-P energy: -121.134
bonds (distance) P-C4' energy: -155.273
flat angles C4'-P-C4' energy: -152.658
flat angles P-C4'-P energy: -113.866
tors. eta vs tors. theta energy: -218.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -2321.514660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2321.514660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2321.514660 (E_RNA)
where:
Base-Base interactions energy: -1582.544
where: short stacking energy: -653.584
Base-Backbone interact. energy: -4.909
local terms energy: -734.061790
where:
bonds (distance) C4'-P energy: -132.236
bonds (distance) P-C4' energy: -151.670
flat angles C4'-P-C4' energy: -147.676
flat angles P-C4'-P energy: -115.842
tors. eta vs tors. theta energy: -186.638
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: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -2060.173662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.173662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.173662 (E_RNA)
where:
Base-Base interactions energy: -1392.699
where: short stacking energy: -562.795
Base-Backbone interact. energy: 3.444
local terms energy: -670.918606
where:
bonds (distance) C4'-P energy: -128.322
bonds (distance) P-C4' energy: -116.512
flat angles C4'-P-C4' energy: -158.611
flat angles P-C4'-P energy: -98.894
tors. eta vs tors. theta energy: -168.579
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: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1905.016026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.016026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.016026 (E_RNA)
where:
Base-Base interactions energy: -1252.616
where: short stacking energy: -529.319
Base-Backbone interact. energy: -5.120
local terms energy: -647.279943
where:
bonds (distance) C4'-P energy: -132.898
bonds (distance) P-C4' energy: -131.534
flat angles C4'-P-C4' energy: -145.661
flat angles P-C4'-P energy: -90.119
tors. eta vs tors. theta energy: -147.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1496.449954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.449954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.449954 (E_RNA)
where:
Base-Base interactions energy: -926.769
where: short stacking energy: -422.517
Base-Backbone interact. energy: -2.838
local terms energy: -566.842902
where:
bonds (distance) C4'-P energy: -124.606
bonds (distance) P-C4' energy: -129.535
flat angles C4'-P-C4' energy: -133.382
flat angles P-C4'-P energy: -91.152
tors. eta vs tors. theta energy: -88.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1397.045662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.045662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.045662 (E_RNA)
where:
Base-Base interactions energy: -869.568
where: short stacking energy: -385.843
Base-Backbone interact. energy: 0.588
local terms energy: -528.065486
where:
bonds (distance) C4'-P energy: -133.916
bonds (distance) P-C4' energy: -109.971
flat angles C4'-P-C4' energy: -132.542
flat angles P-C4'-P energy: -78.324
tors. eta vs tors. theta energy: -73.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1096.170787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.170787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.170787 (E_RNA)
where:
Base-Base interactions energy: -619.819
where: short stacking energy: -302.185
Base-Backbone interact. energy: 3.470
local terms energy: -479.821347
where:
bonds (distance) C4'-P energy: -124.459
bonds (distance) P-C4' energy: -119.094
flat angles C4'-P-C4' energy: -119.601
flat angles P-C4'-P energy: -70.307
tors. eta vs tors. theta energy: -46.361
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: 10, replica: 1
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -635.217627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.217627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.217627 (E_RNA)
where:
Base-Base interactions energy: -259.789
where: short stacking energy: -167.088
Base-Backbone interact. energy: 0.504
local terms energy: -375.932627
where:
bonds (distance) C4'-P energy: -125.305
bonds (distance) P-C4' energy: -126.177
flat angles C4'-P-C4' energy: -100.793
flat angles P-C4'-P energy: -50.734
tors. eta vs tors. theta energy: 27.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2719.296593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2719.296593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2719.296593 (E_RNA)
where:
Base-Base interactions energy: -1880.306
where: short stacking energy: -772.028
Base-Backbone interact. energy: 0.886
local terms energy: -839.876574
where:
bonds (distance) C4'-P energy: -149.244
bonds (distance) P-C4' energy: -150.392
flat angles C4'-P-C4' energy: -182.824
flat angles P-C4'-P energy: -122.735
tors. eta vs tors. theta energy: -234.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2621.343809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2621.343809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2621.343809 (E_RNA)
where:
Base-Base interactions energy: -1792.688
where: short stacking energy: -759.519
Base-Backbone interact. energy: -4.032
local terms energy: -824.623476
where:
bonds (distance) C4'-P energy: -137.819
bonds (distance) P-C4' energy: -148.803
flat angles C4'-P-C4' energy: -179.368
flat angles P-C4'-P energy: -117.562
tors. eta vs tors. theta energy: -241.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -2514.908790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2514.908790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2514.908790 (E_RNA)
where:
Base-Base interactions energy: -1728.569
where: short stacking energy: -721.498
Base-Backbone interact. energy: -1.470
local terms energy: -784.870403
where:
bonds (distance) C4'-P energy: -141.192
bonds (distance) P-C4' energy: -146.552
flat angles C4'-P-C4' energy: -174.285
flat angles P-C4'-P energy: -99.003
tors. eta vs tors. theta energy: -223.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -2294.443674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2294.443674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2294.443674 (E_RNA)
where:
Base-Base interactions energy: -1586.924
where: short stacking energy: -644.253
Base-Backbone interact. energy: -1.406
local terms energy: -706.113577
where:
bonds (distance) C4'-P energy: -129.741
bonds (distance) P-C4' energy: -131.872
flat angles C4'-P-C4' energy: -152.524
flat angles P-C4'-P energy: -100.077
tors. eta vs tors. theta energy: -191.900
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: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -2072.422511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.422511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.422511 (E_RNA)
where:
Base-Base interactions energy: -1387.159
where: short stacking energy: -571.384
Base-Backbone interact. energy: -2.349
local terms energy: -682.914922
where:
bonds (distance) C4'-P energy: -142.654
bonds (distance) P-C4' energy: -136.037
flat angles C4'-P-C4' energy: -164.492
flat angles P-C4'-P energy: -91.671
tors. eta vs tors. theta energy: -148.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1908.539369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.539369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.539369 (E_RNA)
where:
Base-Base interactions energy: -1255.496
where: short stacking energy: -573.229
Base-Backbone interact. energy: -0.426
local terms energy: -652.618002
where:
bonds (distance) C4'-P energy: -128.653
bonds (distance) P-C4' energy: -142.012
flat angles C4'-P-C4' energy: -143.738
flat angles P-C4'-P energy: -85.147
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: 4
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1525.088650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.088650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.088650 (E_RNA)
where:
Base-Base interactions energy: -934.751
where: short stacking energy: -435.433
Base-Backbone interact. energy: 3.807
local terms energy: -594.145310
where:
bonds (distance) C4'-P energy: -132.533
bonds (distance) P-C4' energy: -119.547
flat angles C4'-P-C4' energy: -156.170
flat angles P-C4'-P energy: -92.331
tors. eta vs tors. theta energy: -93.565
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: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1349.488558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.488558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.488558 (E_RNA)
where:
Base-Base interactions energy: -815.951
where: short stacking energy: -356.553
Base-Backbone interact. energy: -2.269
local terms energy: -531.267916
where:
bonds (distance) C4'-P energy: -132.496
bonds (distance) P-C4' energy: -135.726
flat angles C4'-P-C4' energy: -135.941
flat angles P-C4'-P energy: -78.919
tors. eta vs tors. theta energy: -48.186
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: 7
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1103.317355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.317355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.317355 (E_RNA)
where:
Base-Base interactions energy: -618.394
where: short stacking energy: -317.240
Base-Backbone interact. energy: 0.134
local terms energy: -485.057453
where:
bonds (distance) C4'-P energy: -114.266
bonds (distance) P-C4' energy: -120.987
flat angles C4'-P-C4' energy: -125.659
flat angles P-C4'-P energy: -77.888
tors. eta vs tors. theta energy: -46.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -643.630398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.630398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.630398 (E_RNA)
where:
Base-Base interactions energy: -290.569
where: short stacking energy: -175.696
Base-Backbone interact. energy: 3.434
local terms energy: -356.495429
where:
bonds (distance) C4'-P energy: -115.974
bonds (distance) P-C4' energy: -120.513
flat angles C4'-P-C4' energy: -104.059
flat angles P-C4'-P energy: -48.925
tors. eta vs tors. theta energy: 32.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2694.878408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2694.878408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2694.878408 (E_RNA)
where:
Base-Base interactions energy: -1875.509
where: short stacking energy: -745.305
Base-Backbone interact. energy: -3.012
local terms energy: -816.356844
where:
bonds (distance) C4'-P energy: -136.290
bonds (distance) P-C4' energy: -154.819
flat angles C4'-P-C4' energy: -178.239
flat angles P-C4'-P energy: -125.032
tors. eta vs tors. theta energy: -221.976
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: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2589.834303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2589.834303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2589.834303 (E_RNA)
where:
Base-Base interactions energy: -1769.660
where: short stacking energy: -742.440
Base-Backbone interact. energy: -0.517
local terms energy: -819.657201
where:
bonds (distance) C4'-P energy: -144.554
bonds (distance) P-C4' energy: -156.079
flat angles C4'-P-C4' energy: -167.158
flat angles P-C4'-P energy: -115.876
tors. eta vs tors. theta energy: -235.991
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: 2
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -2497.072689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.072689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.072689 (E_RNA)
where:
Base-Base interactions energy: -1718.928
where: short stacking energy: -743.157
Base-Backbone interact. energy: 6.995
local terms energy: -785.139353
where:
bonds (distance) C4'-P energy: -143.139
bonds (distance) P-C4' energy: -149.847
flat angles C4'-P-C4' energy: -156.548
flat angles P-C4'-P energy: -104.163
tors. eta vs tors. theta energy: -231.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -2276.856927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2276.856927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2276.856927 (E_RNA)
where:
Base-Base interactions energy: -1565.307
where: short stacking energy: -638.514
Base-Backbone interact. energy: -0.337
local terms energy: -711.213140
where:
bonds (distance) C4'-P energy: -133.213
bonds (distance) P-C4' energy: -142.041
flat angles C4'-P-C4' energy: -147.980
flat angles P-C4'-P energy: -94.932
tors. eta vs tors. theta energy: -193.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -2109.760901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.760901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.760901 (E_RNA)
where:
Base-Base interactions energy: -1434.101
where: short stacking energy: -601.889
Base-Backbone interact. energy: -2.674
local terms energy: -672.985178
where:
bonds (distance) C4'-P energy: -141.204
bonds (distance) P-C4' energy: -117.358
flat angles C4'-P-C4' energy: -161.038
flat angles P-C4'-P energy: -85.958
tors. eta vs tors. theta energy: -167.428
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: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1894.027925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.027925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.027925 (E_RNA)
where:
Base-Base interactions energy: -1234.590
where: short stacking energy: -536.406
Base-Backbone interact. energy: -3.044
local terms energy: -656.394230
where:
bonds (distance) C4'-P energy: -126.568
bonds (distance) P-C4' energy: -138.994
flat angles C4'-P-C4' energy: -148.996
flat angles P-C4'-P energy: -96.243
tors. eta vs tors. theta energy: -145.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1527.422001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.422001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.422001 (E_RNA)
where:
Base-Base interactions energy: -970.793
where: short stacking energy: -441.842
Base-Backbone interact. energy: 1.374
local terms energy: -558.003399
where:
bonds (distance) C4'-P energy: -116.352
bonds (distance) P-C4' energy: -139.037
flat angles C4'-P-C4' energy: -133.969
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -90.508
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: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1432.979694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.979694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.979694 (E_RNA)
where:
Base-Base interactions energy: -885.951
where: short stacking energy: -406.344
Base-Backbone interact. energy: -1.965
local terms energy: -545.063527
where:
bonds (distance) C4'-P energy: -118.295
bonds (distance) P-C4' energy: -133.223
flat angles C4'-P-C4' energy: -132.780
flat angles P-C4'-P energy: -87.371
tors. eta vs tors. theta energy: -73.395
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: 7
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1047.782946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.782946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.782946 (E_RNA)
where:
Base-Base interactions energy: -610.002
where: short stacking energy: -311.931
Base-Backbone interact. energy: -0.693
local terms energy: -437.088025
where:
bonds (distance) C4'-P energy: -100.091
bonds (distance) P-C4' energy: -117.737
flat angles C4'-P-C4' energy: -126.899
flat angles P-C4'-P energy: -64.511
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: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -642.633986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.633986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.633986 (E_RNA)
where:
Base-Base interactions energy: -273.702
where: short stacking energy: -170.074
Base-Backbone interact. energy: -1.036
local terms energy: -367.895955
where:
bonds (distance) C4'-P energy: -121.195
bonds (distance) P-C4' energy: -130.913
flat angles C4'-P-C4' energy: -100.065
flat angles P-C4'-P energy: -63.730
tors. eta vs tors. theta energy: 48.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2708.983173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2708.983173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2708.983173 (E_RNA)
where:
Base-Base interactions energy: -1882.118
where: short stacking energy: -767.733
Base-Backbone interact. energy: 0.118
local terms energy: -826.982534
where:
bonds (distance) C4'-P energy: -150.348
bonds (distance) P-C4' energy: -163.401
flat angles C4'-P-C4' energy: -167.408
flat angles P-C4'-P energy: -123.136
tors. eta vs tors. theta energy: -222.690
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: 2, replica: 5
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2587.660273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2587.660273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2587.660273 (E_RNA)
where:
Base-Base interactions energy: -1767.809
where: short stacking energy: -786.198
Base-Backbone interact. energy: 2.509
local terms energy: -822.359963
where:
bonds (distance) C4'-P energy: -141.345
bonds (distance) P-C4' energy: -157.386
flat angles C4'-P-C4' energy: -167.905
flat angles P-C4'-P energy: -115.713
tors. eta vs tors. theta energy: -240.010
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: 2
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -2515.703545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.703545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.703545 (E_RNA)
where:
Base-Base interactions energy: -1695.639
where: short stacking energy: -716.160
Base-Backbone interact. energy: -4.221
local terms energy: -815.844230
where:
bonds (distance) C4'-P energy: -140.622
bonds (distance) P-C4' energy: -162.343
flat angles C4'-P-C4' energy: -171.106
flat angles P-C4'-P energy: -116.808
tors. eta vs tors. theta energy: -224.966
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: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -2347.271967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2347.271967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2347.271967 (E_RNA)
where:
Base-Base interactions energy: -1614.379
where: short stacking energy: -686.121
Base-Backbone interact. energy: -3.134
local terms energy: -729.758863
where:
bonds (distance) C4'-P energy: -132.356
bonds (distance) P-C4' energy: -134.369
flat angles C4'-P-C4' energy: -163.278
flat angles P-C4'-P energy: -104.880
tors. eta vs tors. theta energy: -194.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -2074.531035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.531035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.531035 (E_RNA)
where:
Base-Base interactions energy: -1419.661
where: short stacking energy: -589.382
Base-Backbone interact. energy: 0.628
local terms energy: -655.498142
where:
bonds (distance) C4'-P energy: -134.713
bonds (distance) P-C4' energy: -130.069
flat angles C4'-P-C4' energy: -144.034
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -166.646
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: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1847.640015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.640015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.640015 (E_RNA)
where:
Base-Base interactions energy: -1214.231
where: short stacking energy: -533.647
Base-Backbone interact. energy: -3.455
local terms energy: -629.954261
where:
bonds (distance) C4'-P energy: -135.701
bonds (distance) P-C4' energy: -121.823
flat angles C4'-P-C4' energy: -156.487
flat angles P-C4'-P energy: -85.999
tors. eta vs tors. theta energy: -129.944
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: 7, replica: 4
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1484.153508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.153508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.153508 (E_RNA)
where:
Base-Base interactions energy: -862.098
where: short stacking energy: -409.486
Base-Backbone interact. energy: -0.785
local terms energy: -621.270136
where:
bonds (distance) C4'-P energy: -150.811
bonds (distance) P-C4' energy: -155.786
flat angles C4'-P-C4' energy: -138.138
flat angles P-C4'-P energy: -82.228
tors. eta vs tors. theta energy: -94.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1406.960413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.960413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.960413 (E_RNA)
where:
Base-Base interactions energy: -897.637
where: short stacking energy: -396.521
Base-Backbone interact. energy: -1.137
local terms energy: -508.186113
where:
bonds (distance) C4'-P energy: -113.927
bonds (distance) P-C4' energy: -136.417
flat angles C4'-P-C4' energy: -115.596
flat angles P-C4'-P energy: -63.854
tors. eta vs tors. theta energy: -78.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1079.437916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.437916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.437916 (E_RNA)
where:
Base-Base interactions energy: -593.424
where: short stacking energy: -305.203
Base-Backbone interact. energy: -0.611
local terms energy: -485.403148
where:
bonds (distance) C4'-P energy: -109.039
bonds (distance) P-C4' energy: -124.017
flat angles C4'-P-C4' energy: -150.063
flat angles P-C4'-P energy: -77.856
tors. eta vs tors. theta energy: -24.429
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: 10, replica: 1
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -638.366170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.366170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.366170 (E_RNA)
where:
Base-Base interactions energy: -257.653
where: short stacking energy: -170.472
Base-Backbone interact. energy: 1.336
local terms energy: -382.049754
where:
bonds (distance) C4'-P energy: -120.650
bonds (distance) P-C4' energy: -129.506
flat angles C4'-P-C4' energy: -104.545
flat angles P-C4'-P energy: -56.597
tors. eta vs tors. theta energy: 29.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2712.642421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2712.642421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2712.642421 (E_RNA)
where:
Base-Base interactions energy: -1887.086
where: short stacking energy: -769.608
Base-Backbone interact. energy: -4.314
local terms energy: -821.241937
where:
bonds (distance) C4'-P energy: -153.084
bonds (distance) P-C4' energy: -150.769
flat angles C4'-P-C4' energy: -173.298
flat angles P-C4'-P energy: -108.987
tors. eta vs tors. theta energy: -235.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2567.768926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2567.768926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2567.768926 (E_RNA)
where:
Base-Base interactions energy: -1735.252
where: short stacking energy: -735.671
Base-Backbone interact. energy: -2.987
local terms energy: -829.529442
where:
bonds (distance) C4'-P energy: -162.918
bonds (distance) P-C4' energy: -153.876
flat angles C4'-P-C4' energy: -166.084
flat angles P-C4'-P energy: -113.551
tors. eta vs tors. theta energy: -233.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -2531.995612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2531.995612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2531.995612 (E_RNA)
where:
Base-Base interactions energy: -1733.828
where: short stacking energy: -713.135
Base-Backbone interact. energy: -2.686
local terms energy: -795.481502
where:
bonds (distance) C4'-P energy: -130.582
bonds (distance) P-C4' energy: -153.443
flat angles C4'-P-C4' energy: -171.367
flat angles P-C4'-P energy: -111.869
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: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -2327.428023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2327.428023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2327.428023 (E_RNA)
where:
Base-Base interactions energy: -1627.293
where: short stacking energy: -661.696
Base-Backbone interact. energy: -1.750
local terms energy: -698.385174
where:
bonds (distance) C4'-P energy: -132.394
bonds (distance) P-C4' energy: -140.432
flat angles C4'-P-C4' energy: -159.057
flat angles P-C4'-P energy: -82.754
tors. eta vs tors. theta energy: -183.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -2050.665652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.665652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.665652 (E_RNA)
where:
Base-Base interactions energy: -1365.340
where: short stacking energy: -586.297
Base-Backbone interact. energy: -1.961
local terms energy: -683.364406
where:
bonds (distance) C4'-P energy: -131.007
bonds (distance) P-C4' energy: -140.260
flat angles C4'-P-C4' energy: -143.207
flat angles P-C4'-P energy: -101.897
tors. eta vs tors. theta energy: -166.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1827.452922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.452922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.452922 (E_RNA)
where:
Base-Base interactions energy: -1193.749
where: short stacking energy: -511.840
Base-Backbone interact. energy: -2.059
local terms energy: -631.644162
where:
bonds (distance) C4'-P energy: -121.901
bonds (distance) P-C4' energy: -134.985
flat angles C4'-P-C4' energy: -151.926
flat angles P-C4'-P energy: -95.042
tors. eta vs tors. theta energy: -127.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1510.067048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.067048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.067048 (E_RNA)
where:
Base-Base interactions energy: -923.736
where: short stacking energy: -464.513
Base-Backbone interact. energy: -3.568
local terms energy: -582.763060
where:
bonds (distance) C4'-P energy: -128.061
bonds (distance) P-C4' energy: -131.865
flat angles C4'-P-C4' energy: -127.790
flat angles P-C4'-P energy: -91.686
tors. eta vs tors. theta energy: -103.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1441.113065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.113065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.113065 (E_RNA)
where:
Base-Base interactions energy: -902.692
where: short stacking energy: -388.328
Base-Backbone interact. energy: -1.408
local terms energy: -537.013913
where:
bonds (distance) C4'-P energy: -134.991
bonds (distance) P-C4' energy: -127.692
flat angles C4'-P-C4' energy: -130.271
flat angles P-C4'-P energy: -61.376
tors. eta vs tors. theta energy: -82.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1075.918365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.918365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.918365 (E_RNA)
where:
Base-Base interactions energy: -595.814
where: short stacking energy: -313.853
Base-Backbone interact. energy: 6.351
local terms energy: -486.454827
where:
bonds (distance) C4'-P energy: -132.468
bonds (distance) P-C4' energy: -135.415
flat angles C4'-P-C4' energy: -110.253
flat angles P-C4'-P energy: -66.441
tors. eta vs tors. theta energy: -41.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -639.218295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.218295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.218295 (E_RNA)
where:
Base-Base interactions energy: -269.284
where: short stacking energy: -151.632
Base-Backbone interact. energy: 1.221
local terms energy: -371.155732
where:
bonds (distance) C4'-P energy: -115.715
bonds (distance) P-C4' energy: -118.479
flat angles C4'-P-C4' energy: -91.895
flat angles P-C4'-P energy: -67.452
tors. eta vs tors. theta energy: 22.385
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: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2696.431620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2696.431620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2696.431620 (E_RNA)
where:
Base-Base interactions energy: -1852.964
where: short stacking energy: -764.137
Base-Backbone interact. energy: -2.467
local terms energy: -841.000603
where:
bonds (distance) C4'-P energy: -148.878
bonds (distance) P-C4' energy: -163.225
flat angles C4'-P-C4' energy: -175.586
flat angles P-C4'-P energy: -116.550
tors. eta vs tors. theta energy: -236.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -2597.529368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.529368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.529368 (E_RNA)
where:
Base-Base interactions energy: -1741.589
where: short stacking energy: -728.060
Base-Backbone interact. energy: -1.701
local terms energy: -854.239234
where:
bonds (distance) C4'-P energy: -151.110
bonds (distance) P-C4' energy: -161.101
flat angles C4'-P-C4' energy: -172.200
flat angles P-C4'-P energy: -126.031
tors. eta vs tors. theta energy: -243.797
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: 3, replica: 2
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -2507.572482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.572482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.572482 (E_RNA)
where:
Base-Base interactions energy: -1731.438
where: short stacking energy: -711.706
Base-Backbone interact. energy: -3.914
local terms energy: -772.220521
where:
bonds (distance) C4'-P energy: -139.935
bonds (distance) P-C4' energy: -137.468
flat angles C4'-P-C4' energy: -163.379
flat angles P-C4'-P energy: -112.647
tors. eta vs tors. theta energy: -218.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -2342.421911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.421911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.421911 (E_RNA)
where:
Base-Base interactions energy: -1610.309
where: short stacking energy: -662.766
Base-Backbone interact. energy: -0.345
local terms energy: -731.767496
where:
bonds (distance) C4'-P energy: -138.778
bonds (distance) P-C4' energy: -138.001
flat angles C4'-P-C4' energy: -154.981
flat angles P-C4'-P energy: -94.366
tors. eta vs tors. theta energy: -205.642
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: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -2075.242806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.242806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.242806 (E_RNA)
where:
Base-Base interactions energy: -1350.859
where: short stacking energy: -547.157
Base-Backbone interact. energy: -2.252
local terms energy: -722.132217
where:
bonds (distance) C4'-P energy: -143.129
bonds (distance) P-C4' energy: -146.712
flat angles C4'-P-C4' energy: -157.703
flat angles P-C4'-P energy: -101.311
tors. eta vs tors. theta energy: -173.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1836.680415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.680415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.680415 (E_RNA)
where:
Base-Base interactions energy: -1205.536
where: short stacking energy: -545.553
Base-Backbone interact. energy: 0.102
local terms energy: -631.245935
where:
bonds (distance) C4'-P energy: -129.873
bonds (distance) P-C4' energy: -114.931
flat angles C4'-P-C4' energy: -149.087
flat angles P-C4'-P energy: -89.468
tors. eta vs tors. theta energy: -147.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1529.088647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.088647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.088647 (E_RNA)
where:
Base-Base interactions energy: -958.684
where: short stacking energy: -434.574
Base-Backbone interact. energy: -0.077
local terms energy: -570.327580
where:
bonds (distance) C4'-P energy: -116.844
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -142.160
flat angles P-C4'-P energy: -94.489
tors. eta vs tors. theta energy: -101.933
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: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -1486.223105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.223105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.223105 (E_RNA)
where:
Base-Base interactions energy: -928.146
where: short stacking energy: -398.838
Base-Backbone interact. energy: 0.973
local terms energy: -559.050019
where:
bonds (distance) C4'-P energy: -132.455
bonds (distance) P-C4' energy: -117.758
flat angles C4'-P-C4' energy: -133.139
flat angles P-C4'-P energy: -90.531
tors. eta vs tors. theta energy: -85.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1050.079031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.079031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.079031 (E_RNA)
where:
Base-Base interactions energy: -588.853
where: short stacking energy: -285.388
Base-Backbone interact. energy: 1.899
local terms energy: -463.124087
where:
bonds (distance) C4'-P energy: -121.625
bonds (distance) P-C4' energy: -139.890
flat angles C4'-P-C4' energy: -109.919
flat angles P-C4'-P energy: -61.166
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: 10, replica: 1
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -613.743690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.743690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.743690 (E_RNA)
where:
Base-Base interactions energy: -202.982
where: short stacking energy: -129.695
Base-Backbone interact. energy: 2.167
local terms energy: -412.928837
where:
bonds (distance) C4'-P energy: -116.216
bonds (distance) P-C4' energy: -136.315
flat angles C4'-P-C4' energy: -127.169
flat angles P-C4'-P energy: -62.163
tors. eta vs tors. theta energy: 28.935
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: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2697.764165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.764165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.764165 (E_RNA)
where:
Base-Base interactions energy: -1868.408
where: short stacking energy: -768.150
Base-Backbone interact. energy: 0.244
local terms energy: -829.600264
where:
bonds (distance) C4'-P energy: -151.248
bonds (distance) P-C4' energy: -157.418
flat angles C4'-P-C4' energy: -176.357
flat angles P-C4'-P energy: -118.714
tors. eta vs tors. theta energy: -225.863
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: 5
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2597.202034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2597.202034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2597.202034 (E_RNA)
where:
Base-Base interactions energy: -1765.760
where: short stacking energy: -753.469
Base-Backbone interact. energy: 0.364
local terms energy: -831.805736
where:
bonds (distance) C4'-P energy: -142.307
bonds (distance) P-C4' energy: -159.697
flat angles C4'-P-C4' energy: -169.697
flat angles P-C4'-P energy: -125.439
tors. eta vs tors. theta energy: -234.666
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: 2
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -2497.436081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2497.436081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2497.436081 (E_RNA)
where:
Base-Base interactions energy: -1683.329
where: short stacking energy: -700.228
Base-Backbone interact. energy: -6.270
local terms energy: -807.837363
where:
bonds (distance) C4'-P energy: -147.840
bonds (distance) P-C4' energy: -143.373
flat angles C4'-P-C4' energy: -181.255
flat angles P-C4'-P energy: -110.134
tors. eta vs tors. theta energy: -225.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -2350.083465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2350.083465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2350.083465 (E_RNA)
where:
Base-Base interactions energy: -1605.195
where: short stacking energy: -665.248
Base-Backbone interact. energy: 0.575
local terms energy: -745.462801
where:
bonds (distance) C4'-P energy: -133.143
bonds (distance) P-C4' energy: -150.958
flat angles C4'-P-C4' energy: -151.411
flat angles P-C4'-P energy: -100.378
tors. eta vs tors. theta energy: -209.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -2045.103001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.103001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.103001 (E_RNA)
where:
Base-Base interactions energy: -1392.281
where: short stacking energy: -590.314
Base-Backbone interact. energy: 2.398
local terms energy: -655.219738
where:
bonds (distance) C4'-P energy: -120.351
bonds (distance) P-C4' energy: -140.064
flat angles C4'-P-C4' energy: -140.862
flat angles P-C4'-P energy: -95.380
tors. eta vs tors. theta energy: -158.563
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: 10
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1854.373913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.373913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.373913 (E_RNA)
where:
Base-Base interactions energy: -1224.359
where: short stacking energy: -531.566
Base-Backbone interact. energy: 1.248
local terms energy: -631.263550
where:
bonds (distance) C4'-P energy: -128.819
bonds (distance) P-C4' energy: -150.512
flat angles C4'-P-C4' energy: -130.356
flat angles P-C4'-P energy: -81.233
tors. eta vs tors. theta energy: -140.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1608.934900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.934900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.934900 (E_RNA)
where:
Base-Base interactions energy: -1038.633
where: short stacking energy: -461.949
Base-Backbone interact. energy: -2.873
local terms energy: -567.429423
where:
bonds (distance) C4'-P energy: -131.460
bonds (distance) P-C4' energy: -140.394
flat angles C4'-P-C4' energy: -129.956
flat angles P-C4'-P energy: -79.869
tors. eta vs tors. theta energy: -85.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1496.230749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.230749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.230749 (E_RNA)
where:
Base-Base interactions energy: -963.149
where: short stacking energy: -421.794
Base-Backbone interact. energy: 3.664
local terms energy: -536.746024
where:
bonds (distance) C4'-P energy: -129.392
bonds (distance) P-C4' energy: -121.156
flat angles C4'-P-C4' energy: -116.940
flat angles P-C4'-P energy: -83.041
tors. eta vs tors. theta energy: -86.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1035.348034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.348034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.348034 (E_RNA)
where:
Base-Base interactions energy: -553.369
where: short stacking energy: -271.843
Base-Backbone interact. energy: -2.530
local terms energy: -479.448791
where:
bonds (distance) C4'-P energy: -101.557
bonds (distance) P-C4' energy: -128.754
flat angles C4'-P-C4' energy: -139.597
flat angles P-C4'-P energy: -72.648
tors. eta vs tors. theta energy: -36.892
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: 1
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -664.695145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.695145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.695145 (E_RNA)
where:
Base-Base interactions energy: -266.644
where: short stacking energy: -191.913
Base-Backbone interact. energy: -1.641
local terms energy: -396.409848
where:
bonds (distance) C4'-P energy: -130.357
bonds (distance) P-C4' energy: -123.992
flat angles C4'-P-C4' energy: -113.940
flat angles P-C4'-P energy: -39.696
tors. eta vs tors. theta energy: 11.575
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: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2701.251024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2701.251024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2701.251024 (E_RNA)
where:
Base-Base interactions energy: -1878.424
where: short stacking energy: -760.324
Base-Backbone interact. energy: -0.029
local terms energy: -822.798038
where:
bonds (distance) C4'-P energy: -156.251
bonds (distance) P-C4' energy: -159.362
flat angles C4'-P-C4' energy: -166.943
flat angles P-C4'-P energy: -112.031
tors. eta vs tors. theta energy: -228.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2584.314741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.314741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.314741 (E_RNA)
where:
Base-Base interactions energy: -1739.969
where: short stacking energy: -751.713
Base-Backbone interact. energy: -4.580
local terms energy: -839.765781
where:
bonds (distance) C4'-P energy: -150.557
bonds (distance) P-C4' energy: -155.143
flat angles C4'-P-C4' energy: -172.603
flat angles P-C4'-P energy: -119.652
tors. eta vs tors. theta energy: -241.810
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: 2
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -2501.750502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.750502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.750502 (E_RNA)
where:
Base-Base interactions energy: -1727.164
where: short stacking energy: -712.014
Base-Backbone interact. energy: -7.220
local terms energy: -767.366598
where:
bonds (distance) C4'-P energy: -130.523
bonds (distance) P-C4' energy: -133.773
flat angles C4'-P-C4' energy: -182.740
flat angles P-C4'-P energy: -103.087
tors. eta vs tors. theta energy: -217.244
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: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -2410.751672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2410.751672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2410.751672 (E_RNA)
where:
Base-Base interactions energy: -1647.787
where: short stacking energy: -685.647
Base-Backbone interact. energy: -4.357
local terms energy: -758.607810
where:
bonds (distance) C4'-P energy: -154.569
bonds (distance) P-C4' energy: -133.767
flat angles C4'-P-C4' energy: -168.100
flat angles P-C4'-P energy: -95.311
tors. eta vs tors. theta energy: -206.861
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: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -2084.983616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.983616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.983616 (E_RNA)
where:
Base-Base interactions energy: -1388.264
where: short stacking energy: -592.693
Base-Backbone interact. energy: -5.061
local terms energy: -691.658552
where:
bonds (distance) C4'-P energy: -141.976
bonds (distance) P-C4' energy: -138.543
flat angles C4'-P-C4' energy: -143.524
flat angles P-C4'-P energy: -98.960
tors. eta vs tors. theta energy: -168.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1907.581053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.581053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.581053 (E_RNA)
where:
Base-Base interactions energy: -1233.765
where: short stacking energy: -532.792
Base-Backbone interact. energy: 0.900
local terms energy: -674.715193
where:
bonds (distance) C4'-P energy: -147.343
bonds (distance) P-C4' energy: -136.698
flat angles C4'-P-C4' energy: -150.488
flat angles P-C4'-P energy: -90.484
tors. eta vs tors. theta energy: -149.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1546.493346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.493346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.493346 (E_RNA)
where:
Base-Base interactions energy: -980.803
where: short stacking energy: -442.054
Base-Backbone interact. energy: 4.349
local terms energy: -570.039330
where:
bonds (distance) C4'-P energy: -128.376
bonds (distance) P-C4' energy: -129.865
flat angles C4'-P-C4' energy: -121.320
flat angles P-C4'-P energy: -72.945
tors. eta vs tors. theta energy: -117.533
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: 8, replica: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1446.740800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.740800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.740800 (E_RNA)
where:
Base-Base interactions energy: -899.838
where: short stacking energy: -406.771
Base-Backbone interact. energy: -1.174
local terms energy: -545.728603
where:
bonds (distance) C4'-P energy: -127.431
bonds (distance) P-C4' energy: -125.210
flat angles C4'-P-C4' energy: -120.228
flat angles P-C4'-P energy: -83.467
tors. eta vs tors. theta energy: -89.393
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: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1074.009463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.009463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.009463 (E_RNA)
where:
Base-Base interactions energy: -599.380
where: short stacking energy: -282.838
Base-Backbone interact. energy: 6.357
local terms energy: -480.985779
where:
bonds (distance) C4'-P energy: -104.462
bonds (distance) P-C4' energy: -138.448
flat angles C4'-P-C4' energy: -122.034
flat angles P-C4'-P energy: -80.944
tors. eta vs tors. theta energy: -35.098
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: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -627.217788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.217788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.217788 (E_RNA)
where:
Base-Base interactions energy: -239.024
where: short stacking energy: -160.349
Base-Backbone interact. energy: 0.870
local terms energy: -389.064209
where:
bonds (distance) C4'-P energy: -114.238
bonds (distance) P-C4' energy: -140.954
flat angles C4'-P-C4' energy: -87.813
flat angles P-C4'-P energy: -85.473
tors. eta vs tors. theta energy: 39.413
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: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2722.167203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2722.167203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2722.167203 (E_RNA)
where:
Base-Base interactions energy: -1890.048
where: short stacking energy: -759.068
Base-Backbone interact. energy: -3.819
local terms energy: -828.300824
where:
bonds (distance) C4'-P energy: -142.742
bonds (distance) P-C4' energy: -154.822
flat angles C4'-P-C4' energy: -166.449
flat angles P-C4'-P energy: -122.407
tors. eta vs tors. theta energy: -241.881
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: 5
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -2609.983701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2609.983701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2609.983701 (E_RNA)
where:
Base-Base interactions energy: -1784.853
where: short stacking energy: -752.403
Base-Backbone interact. energy: -2.446
local terms energy: -822.684802
where:
bonds (distance) C4'-P energy: -154.139
bonds (distance) P-C4' energy: -148.822
flat angles C4'-P-C4' energy: -176.115
flat angles P-C4'-P energy: -105.734
tors. eta vs tors. theta energy: -237.875
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: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -2522.198360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.198360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.198360 (E_RNA)
where:
Base-Base interactions energy: -1744.852
where: short stacking energy: -725.872
Base-Backbone interact. energy: -1.329
local terms energy: -776.017314
where:
bonds (distance) C4'-P energy: -140.240
bonds (distance) P-C4' energy: -133.950
flat angles C4'-P-C4' energy: -162.021
flat angles P-C4'-P energy: -117.359
tors. eta vs tors. theta energy: -222.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -2391.946850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2391.946850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2391.946850 (E_RNA)
where:
Base-Base interactions energy: -1645.600
where: short stacking energy: -680.509
Base-Backbone interact. energy: -1.196
local terms energy: -745.150898
where:
bonds (distance) C4'-P energy: -120.588
bonds (distance) P-C4' energy: -157.907
flat angles C4'-P-C4' energy: -163.361
flat angles P-C4'-P energy: -102.707
tors. eta vs tors. theta energy: -200.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -2045.215825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.215825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.215825 (E_RNA)
where:
Base-Base interactions energy: -1375.931
where: short stacking energy: -579.096
Base-Backbone interact. energy: -1.984
local terms energy: -667.300852
where:
bonds (distance) C4'-P energy: -143.452
bonds (distance) P-C4' energy: -122.925
flat angles C4'-P-C4' energy: -155.097
flat angles P-C4'-P energy: -83.432
tors. eta vs tors. theta energy: -162.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1889.151586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.151586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.151586 (E_RNA)
where:
Base-Base interactions energy: -1231.015
where: short stacking energy: -539.417
Base-Backbone interact. energy: -3.433
local terms energy: -654.703758
where:
bonds (distance) C4'-P energy: -132.658
bonds (distance) P-C4' energy: -137.930
flat angles C4'-P-C4' energy: -154.548
flat angles P-C4'-P energy: -76.058
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: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1516.285355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.285355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.285355 (E_RNA)
where:
Base-Base interactions energy: -937.998
where: short stacking energy: -415.803
Base-Backbone interact. energy: -2.790
local terms energy: -575.497423
where:
bonds (distance) C4'-P energy: -121.356
bonds (distance) P-C4' energy: -138.364
flat angles C4'-P-C4' energy: -143.576
flat angles P-C4'-P energy: -87.998
tors. eta vs tors. theta energy: -84.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1471.771649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.771649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.771649 (E_RNA)
where:
Base-Base interactions energy: -918.072
where: short stacking energy: -403.875
Base-Backbone interact. energy: 7.368
local terms energy: -561.067004
where:
bonds (distance) C4'-P energy: -133.678
bonds (distance) P-C4' energy: -113.057
flat angles C4'-P-C4' energy: -142.226
flat angles P-C4'-P energy: -90.842
tors. eta vs tors. theta energy: -81.264
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: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1044.301127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.301127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.301127 (E_RNA)
where:
Base-Base interactions energy: -561.362
where: short stacking energy: -281.280
Base-Backbone interact. energy: 1.840
local terms energy: -484.779924
where:
bonds (distance) C4'-P energy: -112.893
bonds (distance) P-C4' energy: -139.059
flat angles C4'-P-C4' energy: -120.503
flat angles P-C4'-P energy: -70.954
tors. eta vs tors. theta energy: -41.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -654.258829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.258829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.258829 (E_RNA)
where:
Base-Base interactions energy: -250.859
where: short stacking energy: -164.589
Base-Backbone interact. energy: 2.074
local terms energy: -405.473869
where:
bonds (distance) C4'-P energy: -148.379
bonds (distance) P-C4' energy: -132.175
flat angles C4'-P-C4' energy: -95.045
flat angles P-C4'-P energy: -71.067
tors. eta vs tors. theta energy: 41.192
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: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2691.319118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2691.319118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2691.319118 (E_RNA)
where:
Base-Base interactions energy: -1886.387
where: short stacking energy: -786.488
Base-Backbone interact. energy: -3.328
local terms energy: -801.603770
where:
bonds (distance) C4'-P energy: -153.447
bonds (distance) P-C4' energy: -121.974
flat angles C4'-P-C4' energy: -182.392
flat angles P-C4'-P energy: -115.061
tors. eta vs tors. theta energy: -228.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2611.872475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2611.872475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2611.872475 (E_RNA)
where:
Base-Base interactions energy: -1784.705
where: short stacking energy: -773.079
Base-Backbone interact. energy: -0.604
local terms energy: -826.562795
where:
bonds (distance) C4'-P energy: -146.722
bonds (distance) P-C4' energy: -142.001
flat angles C4'-P-C4' energy: -171.268
flat angles P-C4'-P energy: -120.266
tors. eta vs tors. theta energy: -246.307
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: 484
Temperature: 1.000000
Total energy: -2508.280957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2508.280957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2508.280957 (E_RNA)
where:
Base-Base interactions energy: -1736.879
where: short stacking energy: -712.674
Base-Backbone interact. energy: -4.189
local terms energy: -767.212353
where:
bonds (distance) C4'-P energy: -136.652
bonds (distance) P-C4' energy: -144.536
flat angles C4'-P-C4' energy: -155.864
flat angles P-C4'-P energy: -104.635
tors. eta vs tors. theta energy: -225.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -2352.588561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.588561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.588561 (E_RNA)
where:
Base-Base interactions energy: -1600.003
where: short stacking energy: -669.709
Base-Backbone interact. energy: 1.879
local terms energy: -754.464616
where:
bonds (distance) C4'-P energy: -136.536
bonds (distance) P-C4' energy: -146.710
flat angles C4'-P-C4' energy: -166.792
flat angles P-C4'-P energy: -100.998
tors. eta vs tors. theta energy: -203.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -2147.462881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2147.462881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2147.462881 (E_RNA)
where:
Base-Base interactions energy: -1476.468
where: short stacking energy: -579.374
Base-Backbone interact. energy: -5.216
local terms energy: -665.779425
where:
bonds (distance) C4'-P energy: -123.352
bonds (distance) P-C4' energy: -129.092
flat angles C4'-P-C4' energy: -152.124
flat angles P-C4'-P energy: -93.384
tors. eta vs tors. theta energy: -167.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1896.310102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.310102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.310102 (E_RNA)
where:
Base-Base interactions energy: -1256.908
where: short stacking energy: -528.452
Base-Backbone interact. energy: -0.543
local terms energy: -638.858907
where:
bonds (distance) C4'-P energy: -121.559
bonds (distance) P-C4' energy: -132.023
flat angles C4'-P-C4' energy: -144.650
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -143.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1579.733681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.733681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.733681 (E_RNA)
where:
Base-Base interactions energy: -993.512
where: short stacking energy: -465.523
Base-Backbone interact. energy: 0.357
local terms energy: -586.579592
where:
bonds (distance) C4'-P energy: -127.338
bonds (distance) P-C4' energy: -123.218
flat angles C4'-P-C4' energy: -142.605
flat angles P-C4'-P energy: -83.537
tors. eta vs tors. theta energy: -109.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1366.834687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.834687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.834687 (E_RNA)
where:
Base-Base interactions energy: -840.308
where: short stacking energy: -377.991
Base-Backbone interact. energy: 4.618
local terms energy: -531.144182
where:
bonds (distance) C4'-P energy: -129.950
bonds (distance) P-C4' energy: -134.859
flat angles C4'-P-C4' energy: -116.373
flat angles P-C4'-P energy: -77.652
tors. eta vs tors. theta energy: -72.310
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: 7
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1065.104644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.104644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.104644 (E_RNA)
where:
Base-Base interactions energy: -599.572
where: short stacking energy: -304.499
Base-Backbone interact. energy: -0.586
local terms energy: -464.945884
where:
bonds (distance) C4'-P energy: -117.304
bonds (distance) P-C4' energy: -131.060
flat angles C4'-P-C4' energy: -106.812
flat angles P-C4'-P energy: -80.503
tors. eta vs tors. theta energy: -29.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -656.246238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.246238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.246238 (E_RNA)
where:
Base-Base interactions energy: -287.290
where: short stacking energy: -172.487
Base-Backbone interact. energy: 1.999
local terms energy: -370.955390
where:
bonds (distance) C4'-P energy: -113.706
bonds (distance) P-C4' energy: -114.532
flat angles C4'-P-C4' energy: -116.504
flat angles P-C4'-P energy: -44.400
tors. eta vs tors. theta energy: 18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2683.598376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2683.598376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2683.598376 (E_RNA)
where:
Base-Base interactions energy: -1858.859
where: short stacking energy: -762.237
Base-Backbone interact. energy: -3.467
local terms energy: -821.272172
where:
bonds (distance) C4'-P energy: -148.685
bonds (distance) P-C4' energy: -144.321
flat angles C4'-P-C4' energy: -183.338
flat angles P-C4'-P energy: -118.170
tors. eta vs tors. theta energy: -226.758
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: 5
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2610.046440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2610.046440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2610.046440 (E_RNA)
where:
Base-Base interactions energy: -1794.829
where: short stacking energy: -777.090
Base-Backbone interact. energy: -0.557
local terms energy: -814.660975
where:
bonds (distance) C4'-P energy: -137.100
bonds (distance) P-C4' energy: -144.110
flat angles C4'-P-C4' energy: -167.462
flat angles P-C4'-P energy: -120.961
tors. eta vs tors. theta energy: -245.029
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: 3, replica: 2
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -2501.384137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.384137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.384137 (E_RNA)
where:
Base-Base interactions energy: -1724.467
where: short stacking energy: -727.144
Base-Backbone interact. energy: -0.617
local terms energy: -776.300517
where:
bonds (distance) C4'-P energy: -145.533
bonds (distance) P-C4' energy: -148.205
flat angles C4'-P-C4' energy: -164.563
flat angles P-C4'-P energy: -99.576
tors. eta vs tors. theta energy: -218.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -2328.193759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2328.193759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2328.193759 (E_RNA)
where:
Base-Base interactions energy: -1592.822
where: short stacking energy: -648.293
Base-Backbone interact. energy: -3.071
local terms energy: -732.300452
where:
bonds (distance) C4'-P energy: -143.050
bonds (distance) P-C4' energy: -134.233
flat angles C4'-P-C4' energy: -153.166
flat angles P-C4'-P energy: -111.964
tors. eta vs tors. theta energy: -189.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -2082.445579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.445579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.445579 (E_RNA)
where:
Base-Base interactions energy: -1393.974
where: short stacking energy: -583.743
Base-Backbone interact. energy: -2.765
local terms energy: -685.706505
where:
bonds (distance) C4'-P energy: -107.020
bonds (distance) P-C4' energy: -138.204
flat angles C4'-P-C4' energy: -160.142
flat angles P-C4'-P energy: -102.698
tors. eta vs tors. theta energy: -177.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1862.791340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.791340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.791340 (E_RNA)
where:
Base-Base interactions energy: -1222.164
where: short stacking energy: -530.466
Base-Backbone interact. energy: 4.095
local terms energy: -644.722259
where:
bonds (distance) C4'-P energy: -126.481
bonds (distance) P-C4' energy: -144.662
flat angles C4'-P-C4' energy: -157.942
flat angles P-C4'-P energy: -86.189
tors. eta vs tors. theta energy: -129.448
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: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1527.231702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.231702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.231702 (E_RNA)
where:
Base-Base interactions energy: -940.357
where: short stacking energy: -404.742
Base-Backbone interact. energy: -1.256
local terms energy: -585.618878
where:
bonds (distance) C4'-P energy: -136.872
bonds (distance) P-C4' energy: -152.550
flat angles C4'-P-C4' energy: -136.640
flat angles P-C4'-P energy: -77.499
tors. eta vs tors. theta energy: -82.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1381.531550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.531550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.531550 (E_RNA)
where:
Base-Base interactions energy: -822.840
where: short stacking energy: -391.933
Base-Backbone interact. energy: -1.172
local terms energy: -557.519709
where:
bonds (distance) C4'-P energy: -152.805
bonds (distance) P-C4' energy: -137.227
flat angles C4'-P-C4' energy: -131.749
flat angles P-C4'-P energy: -52.398
tors. eta vs tors. theta energy: -83.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1027.596927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.596927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.596927 (E_RNA)
where:
Base-Base interactions energy: -588.166
where: short stacking energy: -292.164
Base-Backbone interact. energy: 0.135
local terms energy: -439.565559
where:
bonds (distance) C4'-P energy: -120.339
bonds (distance) P-C4' energy: -113.227
flat angles C4'-P-C4' energy: -94.417
flat angles P-C4'-P energy: -93.432
tors. eta vs tors. theta energy: -18.150
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: 10, replica: 1
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -703.194977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.194977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.194977 (E_RNA)
where:
Base-Base interactions energy: -312.856
where: short stacking energy: -196.102
Base-Backbone interact. energy: 3.324
local terms energy: -393.662756
where:
bonds (distance) C4'-P energy: -126.122
bonds (distance) P-C4' energy: -119.508
flat angles C4'-P-C4' energy: -125.495
flat angles P-C4'-P energy: -43.588
tors. eta vs tors. theta energy: 21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2690.831674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2690.831674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2690.831674 (E_RNA)
where:
Base-Base interactions energy: -1838.487
where: short stacking energy: -786.421
Base-Backbone interact. energy: -4.229
local terms energy: -848.115184
where:
bonds (distance) C4'-P energy: -152.838
bonds (distance) P-C4' energy: -156.714
flat angles C4'-P-C4' energy: -179.086
flat angles P-C4'-P energy: -115.326
tors. eta vs tors. theta energy: -244.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2665.386449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2665.386449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2665.386449 (E_RNA)
where:
Base-Base interactions energy: -1863.231
where: short stacking energy: -752.434
Base-Backbone interact. energy: -2.103
local terms energy: -800.051912
where:
bonds (distance) C4'-P energy: -133.097
bonds (distance) P-C4' energy: -151.710
flat angles C4'-P-C4' energy: -168.332
flat angles P-C4'-P energy: -117.039
tors. eta vs tors. theta energy: -229.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -2495.380616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2495.380616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2495.380616 (E_RNA)
where:
Base-Base interactions energy: -1727.076
where: short stacking energy: -713.747
Base-Backbone interact. energy: -2.610
local terms energy: -765.694630
where:
bonds (distance) C4'-P energy: -155.978
bonds (distance) P-C4' energy: -133.077
flat angles C4'-P-C4' energy: -155.836
flat angles P-C4'-P energy: -105.584
tors. eta vs tors. theta energy: -215.219
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: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -2352.620741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2352.620741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2352.620741 (E_RNA)
where:
Base-Base interactions energy: -1627.735
where: short stacking energy: -684.807
Base-Backbone interact. energy: -2.197
local terms energy: -722.688989
where:
bonds (distance) C4'-P energy: -136.851
bonds (distance) P-C4' energy: -140.831
flat angles C4'-P-C4' energy: -157.990
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -207.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -2017.531873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.531873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.531873 (E_RNA)
where:
Base-Base interactions energy: -1368.783
where: short stacking energy: -586.699
Base-Backbone interact. energy: 0.671
local terms energy: -649.419627
where:
bonds (distance) C4'-P energy: -110.237
bonds (distance) P-C4' energy: -122.380
flat angles C4'-P-C4' energy: -139.043
flat angles P-C4'-P energy: -103.198
tors. eta vs tors. theta energy: -174.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1771.465208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.465208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.465208 (E_RNA)
where:
Base-Base interactions energy: -1163.912
where: short stacking energy: -511.165
Base-Backbone interact. energy: -1.796
local terms energy: -605.756556
where:
bonds (distance) C4'-P energy: -111.557
bonds (distance) P-C4' energy: -123.030
flat angles C4'-P-C4' energy: -148.468
flat angles P-C4'-P energy: -97.133
tors. eta vs tors. theta energy: -125.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1549.987993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.987993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.987993 (E_RNA)
where:
Base-Base interactions energy: -988.933
where: short stacking energy: -457.602
Base-Backbone interact. energy: 0.987
local terms energy: -562.041661
where:
bonds (distance) C4'-P energy: -111.935
bonds (distance) P-C4' energy: -136.979
flat angles C4'-P-C4' energy: -129.596
flat angles P-C4'-P energy: -84.206
tors. eta vs tors. theta energy: -99.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1391.332623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.332623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.332623 (E_RNA)
where:
Base-Base interactions energy: -847.119
where: short stacking energy: -381.243
Base-Backbone interact. energy: -3.871
local terms energy: -540.342558
where:
bonds (distance) C4'-P energy: -133.307
bonds (distance) P-C4' energy: -129.138
flat angles C4'-P-C4' energy: -122.994
flat angles P-C4'-P energy: -77.309
tors. eta vs tors. theta energy: -77.594
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: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1047.323050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.323050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.323050 (E_RNA)
where:
Base-Base interactions energy: -619.354
where: short stacking energy: -301.994
Base-Backbone interact. energy: 5.342
local terms energy: -433.311122
where:
bonds (distance) C4'-P energy: -105.895
bonds (distance) P-C4' energy: -143.566
flat angles C4'-P-C4' energy: -103.449
flat angles P-C4'-P energy: -60.883
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -704.074315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.074315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.074315 (E_RNA)
where:
Base-Base interactions energy: -354.884
where: short stacking energy: -178.087
Base-Backbone interact. energy: 4.818
local terms energy: -354.008581
where:
bonds (distance) C4'-P energy: -107.933
bonds (distance) P-C4' energy: -115.691
flat angles C4'-P-C4' energy: -102.477
flat angles P-C4'-P energy: -50.513
tors. eta vs tors. theta energy: 22.606
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: 1, replica: 5
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2675.652860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2675.652860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2675.652860 (E_RNA)
where:
Base-Base interactions energy: -1869.805
where: short stacking energy: -775.783
Base-Backbone interact. energy: 0.340
local terms energy: -806.187392
where:
bonds (distance) C4'-P energy: -134.328
bonds (distance) P-C4' energy: -144.890
flat angles C4'-P-C4' energy: -177.223
flat angles P-C4'-P energy: -113.960
tors. eta vs tors. theta energy: -235.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2628.542888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2628.542888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2628.542888 (E_RNA)
where:
Base-Base interactions energy: -1806.830
where: short stacking energy: -738.058
Base-Backbone interact. energy: 0.316
local terms energy: -822.029213
where:
bonds (distance) C4'-P energy: -157.500
bonds (distance) P-C4' energy: -140.856
flat angles C4'-P-C4' energy: -169.400
flat angles P-C4'-P energy: -127.803
tors. eta vs tors. theta energy: -226.471
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: 3, replica: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -2498.491634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2498.491634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2498.491634 (E_RNA)
where:
Base-Base interactions energy: -1738.348
where: short stacking energy: -725.829
Base-Backbone interact. energy: 0.283
local terms energy: -760.426682
where:
bonds (distance) C4'-P energy: -131.923
bonds (distance) P-C4' energy: -119.663
flat angles C4'-P-C4' energy: -173.610
flat angles P-C4'-P energy: -116.244
tors. eta vs tors. theta energy: -218.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -2301.710989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2301.710989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2301.710989 (E_RNA)
where:
Base-Base interactions energy: -1606.233
where: short stacking energy: -673.182
Base-Backbone interact. energy: -3.230
local terms energy: -692.247214
where:
bonds (distance) C4'-P energy: -115.610
bonds (distance) P-C4' energy: -133.710
flat angles C4'-P-C4' energy: -166.165
flat angles P-C4'-P energy: -96.144
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: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1988.303927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.303927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.303927 (E_RNA)
where:
Base-Base interactions energy: -1342.474
where: short stacking energy: -560.186
Base-Backbone interact. energy: -1.695
local terms energy: -644.135528
where:
bonds (distance) C4'-P energy: -125.433
bonds (distance) P-C4' energy: -128.701
flat angles C4'-P-C4' energy: -152.730
flat angles P-C4'-P energy: -89.781
tors. eta vs tors. theta energy: -147.491
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: 10
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1819.078565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.078565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.078565 (E_RNA)
where:
Base-Base interactions energy: -1189.514
where: short stacking energy: -494.330
Base-Backbone interact. energy: -0.275
local terms energy: -629.289553
where:
bonds (distance) C4'-P energy: -131.617
bonds (distance) P-C4' energy: -134.780
flat angles C4'-P-C4' energy: -147.667
flat angles P-C4'-P energy: -90.302
tors. eta vs tors. theta energy: -124.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1581.062430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.062430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.062430 (E_RNA)
where:
Base-Base interactions energy: -987.964
where: short stacking energy: -467.888
Base-Backbone interact. energy: 3.240
local terms energy: -596.338124
where:
bonds (distance) C4'-P energy: -126.826
bonds (distance) P-C4' energy: -130.934
flat angles C4'-P-C4' energy: -141.949
flat angles P-C4'-P energy: -93.588
tors. eta vs tors. theta energy: -103.042
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: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1316.085035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.085035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.085035 (E_RNA)
where:
Base-Base interactions energy: -813.882
where: short stacking energy: -380.763
Base-Backbone interact. energy: -1.859
local terms energy: -500.343330
where:
bonds (distance) C4'-P energy: -117.180
bonds (distance) P-C4' energy: -129.734
flat angles C4'-P-C4' energy: -130.953
flat angles P-C4'-P energy: -58.595
tors. eta vs tors. theta energy: -63.881
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: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1085.596160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.596160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.596160 (E_RNA)
where:
Base-Base interactions energy: -586.488
where: short stacking energy: -299.166
Base-Backbone interact. energy: -1.534
local terms energy: -497.573945
where:
bonds (distance) C4'-P energy: -128.973
bonds (distance) P-C4' energy: -133.024
flat angles C4'-P-C4' energy: -119.400
flat angles P-C4'-P energy: -77.381
tors. eta vs tors. theta energy: -38.796
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: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -623.850077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.850077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.850077 (E_RNA)
where:
Base-Base interactions energy: -246.301
where: short stacking energy: -136.198
Base-Backbone interact. energy: 7.943
local terms energy: -385.492945
where:
bonds (distance) C4'-P energy: -139.887
bonds (distance) P-C4' energy: -136.340
flat angles C4'-P-C4' energy: -99.823
flat angles P-C4'-P energy: -51.528
tors. eta vs tors. theta energy: 42.086
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: 1, replica: 5
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2685.223591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2685.223591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2685.223591 (E_RNA)
where:
Base-Base interactions energy: -1857.722
where: short stacking energy: -777.179
Base-Backbone interact. energy: -2.755
local terms energy: -824.746037
where:
bonds (distance) C4'-P energy: -151.397
bonds (distance) P-C4' energy: -140.922
flat angles C4'-P-C4' energy: -171.750
flat angles P-C4'-P energy: -125.232
tors. eta vs tors. theta energy: -235.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -2660.603016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2660.603016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2660.603016 (E_RNA)
where:
Base-Base interactions energy: -1874.300
where: short stacking energy: -756.078
Base-Backbone interact. energy: 1.277
local terms energy: -787.580457
where:
bonds (distance) C4'-P energy: -139.442
bonds (distance) P-C4' energy: -147.073
flat angles C4'-P-C4' energy: -170.878
flat angles P-C4'-P energy: -98.167
tors. eta vs tors. theta energy: -232.021
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -2474.731523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2474.731523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2474.731523 (E_RNA)
where:
Base-Base interactions energy: -1716.681
where: short stacking energy: -703.654
Base-Backbone interact. energy: -0.856
local terms energy: -757.194783
where:
bonds (distance) C4'-P energy: -153.333
bonds (distance) P-C4' energy: -135.551
flat angles C4'-P-C4' energy: -162.114
flat angles P-C4'-P energy: -100.744
tors. eta vs tors. theta energy: -205.452
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: 3
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -2378.427705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2378.427705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2378.427705 (E_RNA)
where:
Base-Base interactions energy: -1661.055
where: short stacking energy: -693.262
Base-Backbone interact. energy: -0.022
local terms energy: -717.350989
where:
bonds (distance) C4'-P energy: -124.800
bonds (distance) P-C4' energy: -135.985
flat angles C4'-P-C4' energy: -144.828
flat angles P-C4'-P energy: -120.038
tors. eta vs tors. theta energy: -191.700
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: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -2016.892514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.892514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.892514 (E_RNA)
where:
Base-Base interactions energy: -1311.960
where: short stacking energy: -563.668
Base-Backbone interact. energy: -2.227
local terms energy: -702.705576
where:
bonds (distance) C4'-P energy: -126.701
bonds (distance) P-C4' energy: -149.772
flat angles C4'-P-C4' energy: -161.729
flat angles P-C4'-P energy: -99.518
tors. eta vs tors. theta energy: -164.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1830.515491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.515491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.515491 (E_RNA)
where:
Base-Base interactions energy: -1240.493
where: short stacking energy: -541.566
Base-Backbone interact. energy: 5.693
local terms energy: -595.715526
where:
bonds (distance) C4'-P energy: -137.350
bonds (distance) P-C4' energy: -115.787
flat angles C4'-P-C4' energy: -145.229
flat angles P-C4'-P energy: -65.324
tors. eta vs tors. theta energy: -132.025
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: 6
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1560.643342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.643342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.643342 (E_RNA)
where:
Base-Base interactions energy: -994.350
where: short stacking energy: -450.499
Base-Backbone interact. energy: 1.994
local terms energy: -568.287510
where:
bonds (distance) C4'-P energy: -132.288
bonds (distance) P-C4' energy: -143.034
flat angles C4'-P-C4' energy: -118.336
flat angles P-C4'-P energy: -70.431
tors. eta vs tors. theta energy: -104.197
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: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1318.351927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.351927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.351927 (E_RNA)
where:
Base-Base interactions energy: -781.021
where: short stacking energy: -336.288
Base-Backbone interact. energy: -0.204
local terms energy: -537.127530
where:
bonds (distance) C4'-P energy: -131.483
bonds (distance) P-C4' energy: -124.441
flat angles C4'-P-C4' energy: -127.017
flat angles P-C4'-P energy: -86.702
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: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1002.928666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.928666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.928666 (E_RNA)
where:
Base-Base interactions energy: -559.688
where: short stacking energy: -294.843
Base-Backbone interact. energy: -0.813
local terms energy: -442.427500
where:
bonds (distance) C4'-P energy: -108.811
bonds (distance) P-C4' energy: -128.429
flat angles C4'-P-C4' energy: -137.660
flat angles P-C4'-P energy: -54.099
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -623.954231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.954231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.954231 (E_RNA)
where:
Base-Base interactions energy: -236.204
where: short stacking energy: -145.891
Base-Backbone interact. energy: -1.552
local terms energy: -386.198371
where:
bonds (distance) C4'-P energy: -122.916
bonds (distance) P-C4' energy: -130.223
flat angles C4'-P-C4' energy: -98.154
flat angles P-C4'-P energy: -66.737
tors. eta vs tors. theta energy: 31.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2663.513999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.513999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.513999 (E_RNA)
where:
Base-Base interactions energy: -1810.665
where: short stacking energy: -783.273
Base-Backbone interact. energy: -0.178
local terms energy: -852.670875
where:
bonds (distance) C4'-P energy: -156.186
bonds (distance) P-C4' energy: -151.634
flat angles C4'-P-C4' energy: -182.939
flat angles P-C4'-P energy: -122.688
tors. eta vs tors. theta energy: -239.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2632.884581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2632.884581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2632.884581 (E_RNA)
where:
Base-Base interactions energy: -1851.514
where: short stacking energy: -744.034
Base-Backbone interact. energy: -0.294
local terms energy: -781.077233
where:
bonds (distance) C4'-P energy: -140.281
bonds (distance) P-C4' energy: -139.074
flat angles C4'-P-C4' energy: -162.197
flat angles P-C4'-P energy: -106.966
tors. eta vs tors. theta energy: -232.559
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: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -2528.577784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2528.577784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2528.577784 (E_RNA)
where:
Base-Base interactions energy: -1771.280
where: short stacking energy: -714.409
Base-Backbone interact. energy: -3.397
local terms energy: -753.901553
where:
bonds (distance) C4'-P energy: -139.410
bonds (distance) P-C4' energy: -152.471
flat angles C4'-P-C4' energy: -153.804
flat angles P-C4'-P energy: -99.816
tors. eta vs tors. theta energy: -208.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -2368.875383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2368.875383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2368.875383 (E_RNA)
where:
Base-Base interactions energy: -1617.774
where: short stacking energy: -672.809
Base-Backbone interact. energy: 3.289
local terms energy: -754.389983
where:
bonds (distance) C4'-P energy: -156.799
bonds (distance) P-C4' energy: -155.479
flat angles C4'-P-C4' energy: -148.316
flat angles P-C4'-P energy: -100.075
tors. eta vs tors. theta energy: -193.721
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: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -2054.184071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.184071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.184071 (E_RNA)
where:
Base-Base interactions energy: -1366.154
where: short stacking energy: -565.576
Base-Backbone interact. energy: -1.532
local terms energy: -686.498980
where:
bonds (distance) C4'-P energy: -135.611
bonds (distance) P-C4' energy: -144.426
flat angles C4'-P-C4' energy: -145.252
flat angles P-C4'-P energy: -98.062
tors. eta vs tors. theta energy: -163.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1893.228481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.228481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.228481 (E_RNA)
where:
Base-Base interactions energy: -1276.362
where: short stacking energy: -528.698
Base-Backbone interact. energy: -0.103
local terms energy: -616.763269
where:
bonds (distance) C4'-P energy: -116.875
bonds (distance) P-C4' energy: -129.187
flat angles C4'-P-C4' energy: -133.635
flat angles P-C4'-P energy: -93.410
tors. eta vs tors. theta energy: -143.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1583.533600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.533600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.533600 (E_RNA)
where:
Base-Base interactions energy: -1014.183
where: short stacking energy: -452.536
Base-Backbone interact. energy: 9.021
local terms energy: -578.371213
where:
bonds (distance) C4'-P energy: -123.915
bonds (distance) P-C4' energy: -133.406
flat angles C4'-P-C4' energy: -143.790
flat angles P-C4'-P energy: -61.016
tors. eta vs tors. theta energy: -116.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1360.103358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.103358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.103358 (E_RNA)
where:
Base-Base interactions energy: -872.517
where: short stacking energy: -395.738
Base-Backbone interact. energy: -1.619
local terms energy: -485.967841
where:
bonds (distance) C4'-P energy: -117.472
bonds (distance) P-C4' energy: -131.476
flat angles C4'-P-C4' energy: -107.754
flat angles P-C4'-P energy: -80.726
tors. eta vs tors. theta energy: -48.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -981.680017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.680017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.680017 (E_RNA)
where:
Base-Base interactions energy: -534.077
where: short stacking energy: -276.884
Base-Backbone interact. energy: 4.488
local terms energy: -452.090864
where:
bonds (distance) C4'-P energy: -125.223
bonds (distance) P-C4' energy: -111.195
flat angles C4'-P-C4' energy: -134.805
flat angles P-C4'-P energy: -50.725
tors. eta vs tors. theta energy: -30.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -760.823300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.823300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.823300 (E_RNA)
where:
Base-Base interactions energy: -346.988
where: short stacking energy: -214.228
Base-Backbone interact. energy: 0.675
local terms energy: -414.511026
where:
bonds (distance) C4'-P energy: -130.904
bonds (distance) P-C4' energy: -130.054
flat angles C4'-P-C4' energy: -111.162
flat angles P-C4'-P energy: -54.761
tors. eta vs tors. theta energy: 12.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2711.620948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2711.620948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2711.620948 (E_RNA)
where:
Base-Base interactions energy: -1874.601
where: short stacking energy: -744.039
Base-Backbone interact. energy: 0.209
local terms energy: -837.229140
where:
bonds (distance) C4'-P energy: -154.023
bonds (distance) P-C4' energy: -168.027
flat angles C4'-P-C4' energy: -169.587
flat angles P-C4'-P energy: -104.278
tors. eta vs tors. theta energy: -241.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2584.850679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2584.850679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2584.850679 (E_RNA)
where:
Base-Base interactions energy: -1752.907
where: short stacking energy: -742.695
Base-Backbone interact. energy: -0.452
local terms energy: -831.491360
where:
bonds (distance) C4'-P energy: -151.972
bonds (distance) P-C4' energy: -151.983
flat angles C4'-P-C4' energy: -180.897
flat angles P-C4'-P energy: -111.700
tors. eta vs tors. theta energy: -234.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -2505.495522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2505.495522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2505.495522 (E_RNA)
where:
Base-Base interactions energy: -1745.953
where: short stacking energy: -701.378
Base-Backbone interact. energy: -2.526
local terms energy: -757.016486
where:
bonds (distance) C4'-P energy: -130.095
bonds (distance) P-C4' energy: -129.730
flat angles C4'-P-C4' energy: -169.994
flat angles P-C4'-P energy: -106.017
tors. eta vs tors. theta energy: -221.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -2333.317679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2333.317679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2333.317679 (E_RNA)
where:
Base-Base interactions energy: -1608.602
where: short stacking energy: -648.900
Base-Backbone interact. energy: -1.992
local terms energy: -722.724329
where:
bonds (distance) C4'-P energy: -135.004
bonds (distance) P-C4' energy: -124.978
flat angles C4'-P-C4' energy: -165.604
flat angles P-C4'-P energy: -99.519
tors. eta vs tors. theta energy: -197.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -2016.646425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.646425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.646425 (E_RNA)
where:
Base-Base interactions energy: -1369.735
where: short stacking energy: -550.670
Base-Backbone interact. energy: 0.653
local terms energy: -647.564874
where:
bonds (distance) C4'-P energy: -130.834
bonds (distance) P-C4' energy: -130.063
flat angles C4'-P-C4' energy: -138.222
flat angles P-C4'-P energy: -94.243
tors. eta vs tors. theta energy: -154.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1944.120991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.120991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.120991 (E_RNA)
where:
Base-Base interactions energy: -1295.256
where: short stacking energy: -562.485
Base-Backbone interact. energy: -0.533
local terms energy: -648.332662
where:
bonds (distance) C4'-P energy: -137.367
bonds (distance) P-C4' energy: -134.371
flat angles C4'-P-C4' energy: -136.678
flat angles P-C4'-P energy: -86.301
tors. eta vs tors. theta energy: -153.616
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: 490
Temperature: 1.200000
Total energy: -1541.063093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.063093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.063093 (E_RNA)
where:
Base-Base interactions energy: -936.977
where: short stacking energy: -442.073
Base-Backbone interact. energy: -0.997
local terms energy: -603.088896
where:
bonds (distance) C4'-P energy: -142.676
bonds (distance) P-C4' energy: -116.896
flat angles C4'-P-C4' energy: -139.080
flat angles P-C4'-P energy: -85.245
tors. eta vs tors. theta energy: -119.191
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: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1294.387839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.387839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.387839 (E_RNA)
where:
Base-Base interactions energy: -782.056
where: short stacking energy: -369.923
Base-Backbone interact. energy: -0.650
local terms energy: -511.681171
where:
bonds (distance) C4'-P energy: -120.316
bonds (distance) P-C4' energy: -147.200
flat angles C4'-P-C4' energy: -100.908
flat angles P-C4'-P energy: -84.424
tors. eta vs tors. theta energy: -58.834
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: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1010.067525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.067525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.067525 (E_RNA)
where:
Base-Base interactions energy: -573.557
where: short stacking energy: -294.995
Base-Backbone interact. energy: 4.563
local terms energy: -441.073379
where:
bonds (distance) C4'-P energy: -115.938
bonds (distance) P-C4' energy: -135.105
flat angles C4'-P-C4' energy: -93.399
flat angles P-C4'-P energy: -72.420
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -712.264619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.264619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.264619 (E_RNA)
where:
Base-Base interactions energy: -305.363
where: short stacking energy: -198.856
Base-Backbone interact. energy: 1.426
local terms energy: -408.327373
where:
bonds (distance) C4'-P energy: -103.647
bonds (distance) P-C4' energy: -144.665
flat angles C4'-P-C4' energy: -94.665
flat angles P-C4'-P energy: -66.106
tors. eta vs tors. theta energy: 0.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2715.095480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2715.095480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2715.095480 (E_RNA)
where:
Base-Base interactions energy: -1903.548
where: short stacking energy: -752.185
Base-Backbone interact. energy: 0.354
local terms energy: -811.901444
where:
bonds (distance) C4'-P energy: -155.355
bonds (distance) P-C4' energy: -155.483
flat angles C4'-P-C4' energy: -175.320
flat angles P-C4'-P energy: -95.147
tors. eta vs tors. theta energy: -230.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -2530.843739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2530.843739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2530.843739 (E_RNA)
where:
Base-Base interactions energy: -1763.306
where: short stacking energy: -727.346
Base-Backbone interact. energy: -1.163
local terms energy: -766.375529
where:
bonds (distance) C4'-P energy: -139.616
bonds (distance) P-C4' energy: -135.501
flat angles C4'-P-C4' energy: -158.668
flat angles P-C4'-P energy: -105.364
tors. eta vs tors. theta energy: -227.226
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: 491
Temperature: 1.000000
Total energy: -2511.175110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2511.175110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2511.175110 (E_RNA)
where:
Base-Base interactions energy: -1718.191
where: short stacking energy: -731.312
Base-Backbone interact. energy: -4.258
local terms energy: -788.726047
where:
bonds (distance) C4'-P energy: -132.013
bonds (distance) P-C4' energy: -141.246
flat angles C4'-P-C4' energy: -170.217
flat angles P-C4'-P energy: -106.556
tors. eta vs tors. theta energy: -238.693
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: 491
Temperature: 1.050000
Total energy: -2341.050436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.050436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.050436 (E_RNA)
where:
Base-Base interactions energy: -1598.032
where: short stacking energy: -656.349
Base-Backbone interact. energy: -3.391
local terms energy: -739.626787
where:
bonds (distance) C4'-P energy: -139.669
bonds (distance) P-C4' energy: -141.772
flat angles C4'-P-C4' energy: -155.043
flat angles P-C4'-P energy: -102.017
tors. eta vs tors. theta energy: -201.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -2053.915866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.915866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.915866 (E_RNA)
where:
Base-Base interactions energy: -1383.653
where: short stacking energy: -610.076
Base-Backbone interact. energy: 3.474
local terms energy: -673.736017
where:
bonds (distance) C4'-P energy: -145.109
bonds (distance) P-C4' energy: -129.691
flat angles C4'-P-C4' energy: -148.222
flat angles P-C4'-P energy: -96.293
tors. eta vs tors. theta energy: -154.421
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: 10
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1912.889045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.889045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.889045 (E_RNA)
where:
Base-Base interactions energy: -1293.024
where: short stacking energy: -563.064
Base-Backbone interact. energy: 0.189
local terms energy: -620.053554
where:
bonds (distance) C4'-P energy: -132.497
bonds (distance) P-C4' energy: -140.384
flat angles C4'-P-C4' energy: -135.670
flat angles P-C4'-P energy: -80.068
tors. eta vs tors. theta energy: -131.434
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: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1536.941229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.941229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.941229 (E_RNA)
where:
Base-Base interactions energy: -941.483
where: short stacking energy: -411.804
Base-Backbone interact. energy: -2.012
local terms energy: -593.445541
where:
bonds (distance) C4'-P energy: -126.820
bonds (distance) P-C4' energy: -153.271
flat angles C4'-P-C4' energy: -145.533
flat angles P-C4'-P energy: -75.160
tors. eta vs tors. theta energy: -92.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1384.958405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.958405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.958405 (E_RNA)
where:
Base-Base interactions energy: -842.251
where: short stacking energy: -399.297
Base-Backbone interact. energy: 0.817
local terms energy: -543.524230
where:
bonds (distance) C4'-P energy: -117.479
bonds (distance) P-C4' energy: -137.899
flat angles C4'-P-C4' energy: -137.830
flat angles P-C4'-P energy: -59.281
tors. eta vs tors. theta energy: -91.037
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: 7
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1043.080022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.080022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.080022 (E_RNA)
where:
Base-Base interactions energy: -574.440
where: short stacking energy: -288.979
Base-Backbone interact. energy: 2.436
local terms energy: -471.076124
where:
bonds (distance) C4'-P energy: -122.581
bonds (distance) P-C4' energy: -120.819
flat angles C4'-P-C4' energy: -128.213
flat angles P-C4'-P energy: -68.369
tors. eta vs tors. theta energy: -31.094
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: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -681.023864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.023864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.023864 (E_RNA)
where:
Base-Base interactions energy: -304.159
where: short stacking energy: -193.576
Base-Backbone interact. energy: -1.689
local terms energy: -375.175634
where:
bonds (distance) C4'-P energy: -96.037
bonds (distance) P-C4' energy: -129.688
flat angles C4'-P-C4' energy: -100.074
flat angles P-C4'-P energy: -64.665
tors. eta vs tors. theta energy: 15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2687.688020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2687.688020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2687.688020 (E_RNA)
where:
Base-Base interactions energy: -1888.902
where: short stacking energy: -751.954
Base-Backbone interact. energy: 0.007
local terms energy: -798.792318
where:
bonds (distance) C4'-P energy: -155.001
bonds (distance) P-C4' energy: -157.288
flat angles C4'-P-C4' energy: -151.318
flat angles P-C4'-P energy: -116.306
tors. eta vs tors. theta energy: -218.880
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: 2, replica: 2
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -2538.501627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2538.501627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2538.501627 (E_RNA)
where:
Base-Base interactions energy: -1780.415
where: short stacking energy: -730.966
Base-Backbone interact. energy: -1.776
local terms energy: -756.310499
where:
bonds (distance) C4'-P energy: -139.235
bonds (distance) P-C4' energy: -149.181
flat angles C4'-P-C4' energy: -160.281
flat angles P-C4'-P energy: -92.584
tors. eta vs tors. theta energy: -215.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -2517.942137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2517.942137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2517.942137 (E_RNA)
where:
Base-Base interactions energy: -1720.313
where: short stacking energy: -744.403
Base-Backbone interact. energy: -1.629
local terms energy: -795.999867
where:
bonds (distance) C4'-P energy: -140.749
bonds (distance) P-C4' energy: -146.757
flat angles C4'-P-C4' energy: -166.025
flat angles P-C4'-P energy: -112.267
tors. eta vs tors. theta energy: -230.202
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: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -2369.706867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2369.706867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2369.706867 (E_RNA)
where:
Base-Base interactions energy: -1630.603
where: short stacking energy: -671.610
Base-Backbone interact. energy: -1.264
local terms energy: -737.839576
where:
bonds (distance) C4'-P energy: -147.572
bonds (distance) P-C4' energy: -139.907
flat angles C4'-P-C4' energy: -156.261
flat angles P-C4'-P energy: -93.533
tors. eta vs tors. theta energy: -200.567
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: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -2019.779064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.779064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.779064 (E_RNA)
where:
Base-Base interactions energy: -1370.343
where: short stacking energy: -582.594
Base-Backbone interact. energy: -2.853
local terms energy: -646.582617
where:
bonds (distance) C4'-P energy: -128.590
bonds (distance) P-C4' energy: -123.989
flat angles C4'-P-C4' energy: -137.642
flat angles P-C4'-P energy: -107.022
tors. eta vs tors. theta energy: -149.340
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: 10
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1890.062807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.062807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.062807 (E_RNA)
where:
Base-Base interactions energy: -1245.879
where: short stacking energy: -513.192
Base-Backbone interact. energy: -1.489
local terms energy: -642.694790
where:
bonds (distance) C4'-P energy: -126.713
bonds (distance) P-C4' energy: -136.910
flat angles C4'-P-C4' energy: -139.722
flat angles P-C4'-P energy: -97.987
tors. eta vs tors. theta energy: -141.363
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: 492
Temperature: 1.200000
Total energy: -1543.822674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.822674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.822674 (E_RNA)
where:
Base-Base interactions energy: -951.697
where: short stacking energy: -417.548
Base-Backbone interact. energy: 3.973
local terms energy: -596.098923
where:
bonds (distance) C4'-P energy: -118.630
bonds (distance) P-C4' energy: -138.786
flat angles C4'-P-C4' energy: -151.552
flat angles P-C4'-P energy: -81.052
tors. eta vs tors. theta energy: -106.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -1412.619780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.619780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.619780 (E_RNA)
where:
Base-Base interactions energy: -882.583
where: short stacking energy: -400.732
Base-Backbone interact. energy: 2.692
local terms energy: -532.728706
where:
bonds (distance) C4'-P energy: -122.324
bonds (distance) P-C4' energy: -128.434
flat angles C4'-P-C4' energy: -128.082
flat angles P-C4'-P energy: -71.813
tors. eta vs tors. theta energy: -82.075
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: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1021.604987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.604987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.604987 (E_RNA)
where:
Base-Base interactions energy: -574.482
where: short stacking energy: -294.771
Base-Backbone interact. energy: -3.627
local terms energy: -443.496553
where:
bonds (distance) C4'-P energy: -101.826
bonds (distance) P-C4' energy: -121.549
flat angles C4'-P-C4' energy: -118.294
flat angles P-C4'-P energy: -75.054
tors. eta vs tors. theta energy: -26.774
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: 1
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -660.962799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.962799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.962799 (E_RNA)
where:
Base-Base interactions energy: -260.933
where: short stacking energy: -185.832
Base-Backbone interact. energy: -0.017
local terms energy: -400.012827
where:
bonds (distance) C4'-P energy: -138.305
bonds (distance) P-C4' energy: -135.838
flat angles C4'-P-C4' energy: -90.975
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: 6.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2704.606728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2704.606728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2704.606728 (E_RNA)
where:
Base-Base interactions energy: -1872.021
where: short stacking energy: -765.014
Base-Backbone interact. energy: 0.063
local terms energy: -832.649527
where:
bonds (distance) C4'-P energy: -147.963
bonds (distance) P-C4' energy: -161.230
flat angles C4'-P-C4' energy: -174.012
flat angles P-C4'-P energy: -111.305
tors. eta vs tors. theta energy: -238.140
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: 2
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2580.278143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2580.278143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2580.278143 (E_RNA)
where:
Base-Base interactions energy: -1800.261
where: short stacking energy: -747.068
Base-Backbone interact. energy: -2.918
local terms energy: -777.099183
where:
bonds (distance) C4'-P energy: -140.853
bonds (distance) P-C4' energy: -136.998
flat angles C4'-P-C4' energy: -175.617
flat angles P-C4'-P energy: -106.817
tors. eta vs tors. theta energy: -216.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -2483.826458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2483.826458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2483.826458 (E_RNA)
where:
Base-Base interactions energy: -1698.847
where: short stacking energy: -720.886
Base-Backbone interact. energy: -2.460
local terms energy: -782.519370
where:
bonds (distance) C4'-P energy: -127.663
bonds (distance) P-C4' energy: -156.034
flat angles C4'-P-C4' energy: -165.561
flat angles P-C4'-P energy: -100.835
tors. eta vs tors. theta energy: -232.427
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: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -2386.211564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2386.211564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2386.211564 (E_RNA)
where:
Base-Base interactions energy: -1640.085
where: short stacking energy: -667.078
Base-Backbone interact. energy: -1.011
local terms energy: -745.115010
where:
bonds (distance) C4'-P energy: -138.753
bonds (distance) P-C4' energy: -135.768
flat angles C4'-P-C4' energy: -167.994
flat angles P-C4'-P energy: -94.795
tors. eta vs tors. theta energy: -207.805
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: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -2033.752352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.752352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.752352 (E_RNA)
where:
Base-Base interactions energy: -1377.379
where: short stacking energy: -557.217
Base-Backbone interact. energy: -4.447
local terms energy: -651.926578
where:
bonds (distance) C4'-P energy: -131.619
bonds (distance) P-C4' energy: -124.057
flat angles C4'-P-C4' energy: -148.433
flat angles P-C4'-P energy: -93.871
tors. eta vs tors. theta energy: -153.947
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: 10
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1856.478241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.478241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.478241 (E_RNA)
where:
Base-Base interactions energy: -1235.267
where: short stacking energy: -522.988
Base-Backbone interact. energy: -1.135
local terms energy: -620.076659
where:
bonds (distance) C4'-P energy: -129.783
bonds (distance) P-C4' energy: -127.564
flat angles C4'-P-C4' energy: -153.172
flat angles P-C4'-P energy: -62.153
tors. eta vs tors. theta energy: -147.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1528.273407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.273407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.273407 (E_RNA)
where:
Base-Base interactions energy: -965.735
where: short stacking energy: -430.595
Base-Backbone interact. energy: 0.453
local terms energy: -562.991753
where:
bonds (distance) C4'-P energy: -127.876
bonds (distance) P-C4' energy: -128.306
flat angles C4'-P-C4' energy: -129.341
flat angles P-C4'-P energy: -71.406
tors. eta vs tors. theta energy: -106.063
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: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1338.129428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.129428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.129428 (E_RNA)
where:
Base-Base interactions energy: -802.188
where: short stacking energy: -392.723
Base-Backbone interact. energy: 2.136
local terms energy: -538.077458
where:
bonds (distance) C4'-P energy: -117.356
bonds (distance) P-C4' energy: -142.638
flat angles C4'-P-C4' energy: -136.790
flat angles P-C4'-P energy: -80.641
tors. eta vs tors. theta energy: -60.651
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: 7
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1047.347726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.347726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.347726 (E_RNA)
where:
Base-Base interactions energy: -557.506
where: short stacking energy: -284.539
Base-Backbone interact. energy: 0.990
local terms energy: -490.831930
where:
bonds (distance) C4'-P energy: -124.100
bonds (distance) P-C4' energy: -138.496
flat angles C4'-P-C4' energy: -121.395
flat angles P-C4'-P energy: -72.277
tors. eta vs tors. theta energy: -34.564
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: 1
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -598.506064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.506064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.506064 (E_RNA)
where:
Base-Base interactions energy: -245.251
where: short stacking energy: -172.900
Base-Backbone interact. energy: 3.678
local terms energy: -356.932703
where:
bonds (distance) C4'-P energy: -114.937
bonds (distance) P-C4' energy: -125.959
flat angles C4'-P-C4' energy: -85.870
flat angles P-C4'-P energy: -50.852
tors. eta vs tors. theta energy: 20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2697.439887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2697.439887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2697.439887 (E_RNA)
where:
Base-Base interactions energy: -1875.532
where: short stacking energy: -768.482
Base-Backbone interact. energy: -3.132
local terms energy: -818.775250
where:
bonds (distance) C4'-P energy: -145.145
bonds (distance) P-C4' energy: -160.342
flat angles C4'-P-C4' energy: -169.360
flat angles P-C4'-P energy: -117.417
tors. eta vs tors. theta energy: -226.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2579.546368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2579.546368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2579.546368 (E_RNA)
where:
Base-Base interactions energy: -1778.446
where: short stacking energy: -725.900
Base-Backbone interact. energy: -4.263
local terms energy: -796.837234
where:
bonds (distance) C4'-P energy: -154.585
bonds (distance) P-C4' energy: -133.657
flat angles C4'-P-C4' energy: -176.163
flat angles P-C4'-P energy: -114.376
tors. eta vs tors. theta energy: -218.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -2515.037568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2515.037568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2515.037568 (E_RNA)
where:
Base-Base interactions energy: -1709.286
where: short stacking energy: -736.848
Base-Backbone interact. energy: -1.498
local terms energy: -804.253477
where:
bonds (distance) C4'-P energy: -149.371
bonds (distance) P-C4' energy: -144.017
flat angles C4'-P-C4' energy: -181.113
flat angles P-C4'-P energy: -101.003
tors. eta vs tors. theta energy: -228.749
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: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -2356.936267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2356.936267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2356.936267 (E_RNA)
where:
Base-Base interactions energy: -1615.879
where: short stacking energy: -705.115
Base-Backbone interact. energy: -1.394
local terms energy: -739.662618
where:
bonds (distance) C4'-P energy: -131.660
bonds (distance) P-C4' energy: -125.939
flat angles C4'-P-C4' energy: -168.476
flat angles P-C4'-P energy: -100.521
tors. eta vs tors. theta energy: -213.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1961.768772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.768772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.768772 (E_RNA)
where:
Base-Base interactions energy: -1291.495
where: short stacking energy: -553.489
Base-Backbone interact. energy: -2.221
local terms energy: -668.051879
where:
bonds (distance) C4'-P energy: -135.136
bonds (distance) P-C4' energy: -141.785
flat angles C4'-P-C4' energy: -145.363
flat angles P-C4'-P energy: -98.849
tors. eta vs tors. theta energy: -146.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1922.325630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.325630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.325630 (E_RNA)
where:
Base-Base interactions energy: -1317.469
where: short stacking energy: -551.510
Base-Backbone interact. energy: -0.061
local terms energy: -604.795610
where:
bonds (distance) C4'-P energy: -114.732
bonds (distance) P-C4' energy: -119.171
flat angles C4'-P-C4' energy: -130.530
flat angles P-C4'-P energy: -74.908
tors. eta vs tors. theta energy: -165.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1590.118816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.118816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.118816 (E_RNA)
where:
Base-Base interactions energy: -982.085
where: short stacking energy: -442.160
Base-Backbone interact. energy: 0.182
local terms energy: -608.215308
where:
bonds (distance) C4'-P energy: -138.236
bonds (distance) P-C4' energy: -158.466
flat angles C4'-P-C4' energy: -125.230
flat angles P-C4'-P energy: -74.950
tors. eta vs tors. theta energy: -111.333
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: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1272.325812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.325812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.325812 (E_RNA)
where:
Base-Base interactions energy: -759.481
where: short stacking energy: -346.922
Base-Backbone interact. energy: -2.358
local terms energy: -510.486805
where:
bonds (distance) C4'-P energy: -114.489
bonds (distance) P-C4' energy: -132.924
flat angles C4'-P-C4' energy: -131.692
flat angles P-C4'-P energy: -71.920
tors. eta vs tors. theta energy: -59.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1097.728404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.728404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.728404 (E_RNA)
where:
Base-Base interactions energy: -594.353
where: short stacking energy: -299.428
Base-Backbone interact. energy: -0.871
local terms energy: -502.504304
where:
bonds (distance) C4'-P energy: -129.242
bonds (distance) P-C4' energy: -127.485
flat angles C4'-P-C4' energy: -122.583
flat angles P-C4'-P energy: -77.412
tors. eta vs tors. theta energy: -45.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -682.875282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.875282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.875282 (E_RNA)
where:
Base-Base interactions energy: -293.077
where: short stacking energy: -183.478
Base-Backbone interact. energy: 4.111
local terms energy: -393.909397
where:
bonds (distance) C4'-P energy: -110.236
bonds (distance) P-C4' energy: -132.535
flat angles C4'-P-C4' energy: -99.270
flat angles P-C4'-P energy: -81.632
tors. eta vs tors. theta energy: 29.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -2666.369322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2666.369322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2666.369322 (E_RNA)
where:
Base-Base interactions energy: -1863.183
where: short stacking energy: -744.680
Base-Backbone interact. energy: -1.736
local terms energy: -801.450354
where:
bonds (distance) C4'-P energy: -155.460
bonds (distance) P-C4' energy: -141.100
flat angles C4'-P-C4' energy: -166.304
flat angles P-C4'-P energy: -109.289
tors. eta vs tors. theta energy: -229.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -2577.631432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2577.631432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2577.631432 (E_RNA)
where:
Base-Base interactions energy: -1770.185
where: short stacking energy: -734.808
Base-Backbone interact. energy: -5.464
local terms energy: -801.982196
where:
bonds (distance) C4'-P energy: -144.876
bonds (distance) P-C4' energy: -158.715
flat angles C4'-P-C4' energy: -165.374
flat angles P-C4'-P energy: -112.662
tors. eta vs tors. theta energy: -220.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -2465.187241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2465.187241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2465.187241 (E_RNA)
where:
Base-Base interactions energy: -1689.918
where: short stacking energy: -701.069
Base-Backbone interact. energy: -2.103
local terms energy: -773.165499
where:
bonds (distance) C4'-P energy: -134.776
bonds (distance) P-C4' energy: -149.900
flat angles C4'-P-C4' energy: -162.822
flat angles P-C4'-P energy: -92.984
tors. eta vs tors. theta energy: -232.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -2308.239153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2308.239153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2308.239153 (E_RNA)
where:
Base-Base interactions energy: -1579.557
where: short stacking energy: -645.444
Base-Backbone interact. energy: 5.407
local terms energy: -734.089811
where:
bonds (distance) C4'-P energy: -129.463
bonds (distance) P-C4' energy: -152.851
flat angles C4'-P-C4' energy: -157.643
flat angles P-C4'-P energy: -98.087
tors. eta vs tors. theta energy: -196.046
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: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -2060.697506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.697506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.697506 (E_RNA)
where:
Base-Base interactions energy: -1378.756
where: short stacking energy: -587.700
Base-Backbone interact. energy: -0.245
local terms energy: -681.696779
where:
bonds (distance) C4'-P energy: -139.849
bonds (distance) P-C4' energy: -129.351
flat angles C4'-P-C4' energy: -156.407
flat angles P-C4'-P energy: -96.108
tors. eta vs tors. theta energy: -159.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1923.199272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.199272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.199272 (E_RNA)
where:
Base-Base interactions energy: -1290.785
where: short stacking energy: -530.655
Base-Backbone interact. energy: -0.034
local terms energy: -632.380157
where:
bonds (distance) C4'-P energy: -136.788
bonds (distance) P-C4' energy: -124.951
flat angles C4'-P-C4' energy: -142.676
flat angles P-C4'-P energy: -82.709
tors. eta vs tors. theta energy: -145.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1593.232296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.232296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.232296 (E_RNA)
where:
Base-Base interactions energy: -1009.663
where: short stacking energy: -462.555
Base-Backbone interact. energy: 1.854
local terms energy: -585.423137
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -138.434
flat angles C4'-P-C4' energy: -133.056
flat angles P-C4'-P energy: -105.584
tors. eta vs tors. theta energy: -104.064
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: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1220.007251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.007251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.007251 (E_RNA)
where:
Base-Base interactions energy: -706.332
where: short stacking energy: -355.500
Base-Backbone interact. energy: -1.220
local terms energy: -512.454393
where:
bonds (distance) C4'-P energy: -126.668
bonds (distance) P-C4' energy: -130.457
flat angles C4'-P-C4' energy: -135.197
flat angles P-C4'-P energy: -84.632
tors. eta vs tors. theta energy: -35.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1061.657043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.657043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.657043 (E_RNA)
where:
Base-Base interactions energy: -599.064
where: short stacking energy: -271.753
Base-Backbone interact. energy: -2.286
local terms energy: -460.307394
where:
bonds (distance) C4'-P energy: -115.723
bonds (distance) P-C4' energy: -141.595
flat angles C4'-P-C4' energy: -106.673
flat angles P-C4'-P energy: -83.910
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: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -706.164156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.164156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.164156 (E_RNA)
where:
Base-Base interactions energy: -303.643
where: short stacking energy: -166.141
Base-Backbone interact. energy: 1.767
local terms energy: -404.288165
where:
bonds (distance) C4'-P energy: -118.621
bonds (distance) P-C4' energy: -118.151
flat angles C4'-P-C4' energy: -113.255
flat angles P-C4'-P energy: -67.928
tors. eta vs tors. theta energy: 13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -2664.680350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2664.680350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2664.680350 (E_RNA)
where:
Base-Base interactions energy: -1852.665
where: short stacking energy: -753.880
Base-Backbone interact. energy: -3.222
local terms energy: -808.793655
where:
bonds (distance) C4'-P energy: -158.456
bonds (distance) P-C4' energy: -146.855
flat angles C4'-P-C4' energy: -164.437
flat angles P-C4'-P energy: -111.439
tors. eta vs tors. theta energy: -227.607
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: 2
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2558.762874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2558.762874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2558.762874 (E_RNA)
where:
Base-Base interactions energy: -1748.503
where: short stacking energy: -709.365
Base-Backbone interact. energy: 1.251
local terms energy: -811.511094
where:
bonds (distance) C4'-P energy: -151.362
bonds (distance) P-C4' energy: -149.664
flat angles C4'-P-C4' energy: -169.001
flat angles P-C4'-P energy: -116.156
tors. eta vs tors. theta energy: -225.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -2489.149262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2489.149262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2489.149262 (E_RNA)
where:
Base-Base interactions energy: -1711.790
where: short stacking energy: -699.227
Base-Backbone interact. energy: 0.087
local terms energy: -777.446326
where:
bonds (distance) C4'-P energy: -147.947
bonds (distance) P-C4' energy: -140.800
flat angles C4'-P-C4' energy: -163.704
flat angles P-C4'-P energy: -99.412
tors. eta vs tors. theta energy: -225.584
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: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -2343.490923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2343.490923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2343.490923 (E_RNA)
where:
Base-Base interactions energy: -1580.780
where: short stacking energy: -676.161
Base-Backbone interact. energy: -1.839
local terms energy: -760.871794
where:
bonds (distance) C4'-P energy: -135.849
bonds (distance) P-C4' energy: -151.293
flat angles C4'-P-C4' energy: -162.617
flat angles P-C4'-P energy: -101.817
tors. eta vs tors. theta energy: -209.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -2031.740184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.740184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.740184 (E_RNA)
where:
Base-Base interactions energy: -1368.048
where: short stacking energy: -574.325
Base-Backbone interact. energy: -2.825
local terms energy: -660.866813
where:
bonds (distance) C4'-P energy: -124.148
bonds (distance) P-C4' energy: -131.994
flat angles C4'-P-C4' energy: -159.876
flat angles P-C4'-P energy: -94.948
tors. eta vs tors. theta energy: -149.901
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: 8
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1874.995903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.995903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.995903 (E_RNA)
where:
Base-Base interactions energy: -1252.211
where: short stacking energy: -530.899
Base-Backbone interact. energy: -3.015
local terms energy: -619.769797
where:
bonds (distance) C4'-P energy: -127.861
bonds (distance) P-C4' energy: -139.976
flat angles C4'-P-C4' energy: -129.484
flat angles P-C4'-P energy: -91.704
tors. eta vs tors. theta energy: -130.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1604.770376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.770376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.770376 (E_RNA)
where:
Base-Base interactions energy: -1029.265
where: short stacking energy: -438.320
Base-Backbone interact. energy: -1.911
local terms energy: -573.594529
where:
bonds (distance) C4'-P energy: -129.795
bonds (distance) P-C4' energy: -127.665
flat angles C4'-P-C4' energy: -144.417
flat angles P-C4'-P energy: -74.090
tors. eta vs tors. theta energy: -97.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1253.413125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.413125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.413125 (E_RNA)
where:
Base-Base interactions energy: -728.057
where: short stacking energy: -365.287
Base-Backbone interact. energy: 0.840
local terms energy: -526.196143
where:
bonds (distance) C4'-P energy: -119.722
bonds (distance) P-C4' energy: -133.747
flat angles C4'-P-C4' energy: -141.965
flat angles P-C4'-P energy: -82.227
tors. eta vs tors. theta energy: -48.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1103.894793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.894793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.894793 (E_RNA)
where:
Base-Base interactions energy: -637.130
where: short stacking energy: -314.843
Base-Backbone interact. energy: -0.543
local terms energy: -466.221183
where:
bonds (distance) C4'-P energy: -131.594
bonds (distance) P-C4' energy: -128.814
flat angles C4'-P-C4' energy: -101.187
flat angles P-C4'-P energy: -63.340
tors. eta vs tors. theta energy: -41.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -729.566662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.566662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.566662 (E_RNA)
where:
Base-Base interactions energy: -318.410
where: short stacking energy: -176.597
Base-Backbone interact. energy: 2.993
local terms energy: -414.149802
where:
bonds (distance) C4'-P energy: -114.991
bonds (distance) P-C4' energy: -131.435
flat angles C4'-P-C4' energy: -107.806
flat angles P-C4'-P energy: -72.697
tors. eta vs tors. theta energy: 12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2645.036296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2645.036296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2645.036296 (E_RNA)
where:
Base-Base interactions energy: -1833.777
where: short stacking energy: -746.521
Base-Backbone interact. energy: -0.749
local terms energy: -810.510668
where:
bonds (distance) C4'-P energy: -142.288
bonds (distance) P-C4' energy: -149.128
flat angles C4'-P-C4' energy: -175.985
flat angles P-C4'-P energy: -124.540
tors. eta vs tors. theta energy: -218.570
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: 2
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2560.224493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2560.224493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2560.224493 (E_RNA)
where:
Base-Base interactions energy: -1810.379
where: short stacking energy: -712.123
Base-Backbone interact. energy: -0.154
local terms energy: -749.691462
where:
bonds (distance) C4'-P energy: -137.981
bonds (distance) P-C4' energy: -137.393
flat angles C4'-P-C4' energy: -160.032
flat angles P-C4'-P energy: -103.075
tors. eta vs tors. theta energy: -211.210
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: 497
Temperature: 1.000000
Total energy: -2507.682057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2507.682057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2507.682057 (E_RNA)
where:
Base-Base interactions energy: -1701.974
where: short stacking energy: -719.110
Base-Backbone interact. energy: -2.631
local terms energy: -803.077919
where:
bonds (distance) C4'-P energy: -144.158
bonds (distance) P-C4' energy: -151.017
flat angles C4'-P-C4' energy: -165.246
flat angles P-C4'-P energy: -118.552
tors. eta vs tors. theta energy: -224.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -2351.203405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2351.203405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2351.203405 (E_RNA)
where:
Base-Base interactions energy: -1579.100
where: short stacking energy: -649.872
Base-Backbone interact. energy: -3.983
local terms energy: -768.121097
where:
bonds (distance) C4'-P energy: -145.743
bonds (distance) P-C4' energy: -140.983
flat angles C4'-P-C4' energy: -172.334
flat angles P-C4'-P energy: -110.707
tors. eta vs tors. theta energy: -198.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1990.307459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.307459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.307459 (E_RNA)
where:
Base-Base interactions energy: -1340.381
where: short stacking energy: -599.518
Base-Backbone interact. energy: -2.564
local terms energy: -647.362599
where:
bonds (distance) C4'-P energy: -108.011
bonds (distance) P-C4' energy: -132.653
flat angles C4'-P-C4' energy: -151.291
flat angles P-C4'-P energy: -88.998
tors. eta vs tors. theta energy: -166.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1842.083169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.083169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.083169 (E_RNA)
where:
Base-Base interactions energy: -1222.673
where: short stacking energy: -519.024
Base-Backbone interact. energy: 0.482
local terms energy: -619.891799
where:
bonds (distance) C4'-P energy: -121.540
bonds (distance) P-C4' energy: -143.323
flat angles C4'-P-C4' energy: -142.267
flat angles P-C4'-P energy: -87.000
tors. eta vs tors. theta energy: -125.763
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: 7, replica: 6
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1601.136068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.136068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.136068 (E_RNA)
where:
Base-Base interactions energy: -997.823
where: short stacking energy: -424.540
Base-Backbone interact. energy: -0.359
local terms energy: -602.953804
where:
bonds (distance) C4'-P energy: -128.182
bonds (distance) P-C4' energy: -139.640
flat angles C4'-P-C4' energy: -141.590
flat angles P-C4'-P energy: -84.116
tors. eta vs tors. theta energy: -109.426
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: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1240.181327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.181327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.181327 (E_RNA)
where:
Base-Base interactions energy: -734.150
where: short stacking energy: -359.967
Base-Backbone interact. energy: 1.425
local terms energy: -507.456144
where:
bonds (distance) C4'-P energy: -118.910
bonds (distance) P-C4' energy: -128.222
flat angles C4'-P-C4' energy: -134.016
flat angles P-C4'-P energy: -74.711
tors. eta vs tors. theta energy: -51.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1110.043595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.043595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.043595 (E_RNA)
where:
Base-Base interactions energy: -660.009
where: short stacking energy: -336.405
Base-Backbone interact. energy: -1.099
local terms energy: -448.935448
where:
bonds (distance) C4'-P energy: -118.514
bonds (distance) P-C4' energy: -113.085
flat angles C4'-P-C4' energy: -121.044
flat angles P-C4'-P energy: -51.764
tors. eta vs tors. theta energy: -44.529
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: 10, replica: 1
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -736.101730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.101730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.101730 (E_RNA)
where:
Base-Base interactions energy: -324.381
where: short stacking energy: -188.056
Base-Backbone interact. energy: 1.694
local terms energy: -413.414189
where:
bonds (distance) C4'-P energy: -130.191
bonds (distance) P-C4' energy: -117.738
flat angles C4'-P-C4' energy: -95.378
flat angles P-C4'-P energy: -72.193
tors. eta vs tors. theta energy: 2.087
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: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2663.484668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.484668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.484668 (E_RNA)
where:
Base-Base interactions energy: -1822.624
where: short stacking energy: -766.729
Base-Backbone interact. energy: -1.111
local terms energy: -839.749293
where:
bonds (distance) C4'-P energy: -169.404
bonds (distance) P-C4' energy: -156.332
flat angles C4'-P-C4' energy: -174.863
flat angles P-C4'-P energy: -112.388
tors. eta vs tors. theta energy: -226.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2554.507127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2554.507127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2554.507127 (E_RNA)
where:
Base-Base interactions energy: -1759.920
where: short stacking energy: -715.344
Base-Backbone interact. energy: -1.109
local terms energy: -793.478610
where:
bonds (distance) C4'-P energy: -156.175
bonds (distance) P-C4' energy: -153.959
flat angles C4'-P-C4' energy: -166.534
flat angles P-C4'-P energy: -99.709
tors. eta vs tors. theta energy: -217.101
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: 5
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -2501.067194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2501.067194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2501.067194 (E_RNA)
where:
Base-Base interactions energy: -1713.049
where: short stacking energy: -710.468
Base-Backbone interact. energy: -1.939
local terms energy: -786.079192
where:
bonds (distance) C4'-P energy: -147.099
bonds (distance) P-C4' energy: -134.226
flat angles C4'-P-C4' energy: -174.628
flat angles P-C4'-P energy: -108.037
tors. eta vs tors. theta energy: -222.089
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: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -2330.158828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2330.158828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2330.158828 (E_RNA)
where:
Base-Base interactions energy: -1628.739
where: short stacking energy: -671.057
Base-Backbone interact. energy: 1.033
local terms energy: -702.452178
where:
bonds (distance) C4'-P energy: -122.295
bonds (distance) P-C4' energy: -124.778
flat angles C4'-P-C4' energy: -147.479
flat angles P-C4'-P energy: -116.305
tors. eta vs tors. theta energy: -191.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -2036.087972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.087972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.087972 (E_RNA)
where:
Base-Base interactions energy: -1366.966
where: short stacking energy: -571.824
Base-Backbone interact. energy: -0.693
local terms energy: -668.428643
where:
bonds (distance) C4'-P energy: -125.347
bonds (distance) P-C4' energy: -142.749
flat angles C4'-P-C4' energy: -153.819
flat angles P-C4'-P energy: -100.988
tors. eta vs tors. theta energy: -145.526
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: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1807.473817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.473817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.473817 (E_RNA)
where:
Base-Base interactions energy: -1213.840
where: short stacking energy: -509.558
Base-Backbone interact. energy: -0.467
local terms energy: -593.167193
where:
bonds (distance) C4'-P energy: -117.121
bonds (distance) P-C4' energy: -139.558
flat angles C4'-P-C4' energy: -142.313
flat angles P-C4'-P energy: -78.410
tors. eta vs tors. theta energy: -115.765
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: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1677.174469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.174469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.174469 (E_RNA)
where:
Base-Base interactions energy: -1074.259
where: short stacking energy: -485.008
Base-Backbone interact. energy: -0.604
local terms energy: -602.312007
where:
bonds (distance) C4'-P energy: -130.191
bonds (distance) P-C4' energy: -134.150
flat angles C4'-P-C4' energy: -140.590
flat angles P-C4'-P energy: -84.371
tors. eta vs tors. theta energy: -113.011
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: 4
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1263.862994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.862994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.862994 (E_RNA)
where:
Base-Base interactions energy: -736.199
where: short stacking energy: -370.040
Base-Backbone interact. energy: 0.005
local terms energy: -527.669396
where:
bonds (distance) C4'-P energy: -125.460
bonds (distance) P-C4' energy: -127.312
flat angles C4'-P-C4' energy: -120.482
flat angles P-C4'-P energy: -87.620
tors. eta vs tors. theta energy: -66.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1144.563102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.563102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.563102 (E_RNA)
where:
Base-Base interactions energy: -681.252
where: short stacking energy: -303.924
Base-Backbone interact. energy: 2.888
local terms energy: -466.198715
where:
bonds (distance) C4'-P energy: -130.393
bonds (distance) P-C4' energy: -126.398
flat angles C4'-P-C4' energy: -105.699
flat angles P-C4'-P energy: -59.808
tors. eta vs tors. theta energy: -43.901
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: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -757.041404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.041404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.041404 (E_RNA)
where:
Base-Base interactions energy: -334.252
where: short stacking energy: -192.306
Base-Backbone interact. energy: -3.187
local terms energy: -419.601611
where:
bonds (distance) C4'-P energy: -137.921
bonds (distance) P-C4' energy: -119.464
flat angles C4'-P-C4' energy: -111.596
flat angles P-C4'-P energy: -59.355
tors. eta vs tors. theta energy: 8.734
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: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -2663.388204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2663.388204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2663.388204 (E_RNA)
where:
Base-Base interactions energy: -1837.050
where: short stacking energy: -727.938
Base-Backbone interact. energy: -4.478
local terms energy: -821.859925
where:
bonds (distance) C4'-P energy: -145.780
bonds (distance) P-C4' energy: -158.035
flat angles C4'-P-C4' energy: -172.105
flat angles P-C4'-P energy: -122.537
tors. eta vs tors. theta energy: -223.404
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: 2
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -2553.513331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2553.513331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2553.513331 (E_RNA)
where:
Base-Base interactions energy: -1741.139
where: short stacking energy: -732.383
Base-Backbone interact. energy: 1.315
local terms energy: -813.689621
where:
bonds (distance) C4'-P energy: -141.770
bonds (distance) P-C4' energy: -166.703
flat angles C4'-P-C4' energy: -165.179
flat angles P-C4'-P energy: -118.043
tors. eta vs tors. theta energy: -221.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -2522.735380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2522.735380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2522.735380 (E_RNA)
where:
Base-Base interactions energy: -1728.179
where: short stacking energy: -747.407
Base-Backbone interact. energy: -2.134
local terms energy: -792.422443
where:
bonds (distance) C4'-P energy: -135.887
bonds (distance) P-C4' energy: -145.079
flat angles C4'-P-C4' energy: -175.501
flat angles P-C4'-P energy: -103.046
tors. eta vs tors. theta energy: -232.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -2342.209828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2342.209828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2342.209828 (E_RNA)
where:
Base-Base interactions energy: -1631.407
where: short stacking energy: -671.622
Base-Backbone interact. energy: -0.297
local terms energy: -710.506185
where:
bonds (distance) C4'-P energy: -142.584
bonds (distance) P-C4' energy: -125.640
flat angles C4'-P-C4' energy: -144.524
flat angles P-C4'-P energy: -93.965
tors. eta vs tors. theta energy: -203.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -2006.764362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.764362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.764362 (E_RNA)
where:
Base-Base interactions energy: -1356.925
where: short stacking energy: -585.226
Base-Backbone interact. energy: -1.184
local terms energy: -648.654861
where:
bonds (distance) C4'-P energy: -115.171
bonds (distance) P-C4' energy: -135.312
flat angles C4'-P-C4' energy: -152.205
flat angles P-C4'-P energy: -93.382
tors. eta vs tors. theta energy: -152.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1842.793401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.793401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.793401 (E_RNA)
where:
Base-Base interactions energy: -1204.753
where: short stacking energy: -490.152
Base-Backbone interact. energy: -0.926
local terms energy: -637.114114
where:
bonds (distance) C4'-P energy: -124.510
bonds (distance) P-C4' energy: -137.348
flat angles C4'-P-C4' energy: -154.112
flat angles P-C4'-P energy: -101.217
tors. eta vs tors. theta energy: -119.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1646.962356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.962356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.962356 (E_RNA)
where:
Base-Base interactions energy: -1046.441
where: short stacking energy: -469.949
Base-Backbone interact. energy: -2.532
local terms energy: -597.989842
where:
bonds (distance) C4'-P energy: -125.499
bonds (distance) P-C4' energy: -133.818
flat angles C4'-P-C4' energy: -123.962
flat angles P-C4'-P energy: -90.731
tors. eta vs tors. theta energy: -123.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1269.609130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.609130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.609130 (E_RNA)
where:
Base-Base interactions energy: -716.771
where: short stacking energy: -360.408
Base-Backbone interact. energy: 0.160
local terms energy: -552.998083
where:
bonds (distance) C4'-P energy: -125.303
bonds (distance) P-C4' energy: -139.297
flat angles C4'-P-C4' energy: -139.884
flat angles P-C4'-P energy: -83.440
tors. eta vs tors. theta energy: -65.073
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: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1132.099688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.099688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.099688 (E_RNA)
where:
Base-Base interactions energy: -640.981
where: short stacking energy: -290.476
Base-Backbone interact. energy: 2.271
local terms energy: -493.390045
where:
bonds (distance) C4'-P energy: -123.320
bonds (distance) P-C4' energy: -134.424
flat angles C4'-P-C4' energy: -113.663
flat angles P-C4'-P energy: -68.265
tors. eta vs tors. theta energy: -53.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -729.113680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.113680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.113680 (E_RNA)
where:
Base-Base interactions energy: -350.071
where: short stacking energy: -174.057
Base-Backbone interact. energy: 1.344
local terms energy: -380.386497
where:
bonds (distance) C4'-P energy: -112.544
bonds (distance) P-C4' energy: -146.413
flat angles C4'-P-C4' energy: -114.788
flat angles P-C4'-P energy: -36.648
tors. eta vs tors. theta energy: 30.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2636.206831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2636.206831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2636.206831 (E_RNA)
where:
Base-Base interactions energy: -1817.326
where: short stacking energy: -764.513
Base-Backbone interact. energy: -3.391
local terms energy: -815.490191
where:
bonds (distance) C4'-P energy: -166.827
bonds (distance) P-C4' energy: -145.135
flat angles C4'-P-C4' energy: -179.207
flat angles P-C4'-P energy: -97.712
tors. eta vs tors. theta energy: -226.609
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: 2
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2565.388874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2565.388874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2565.388874 (E_RNA)
where:
Base-Base interactions energy: -1762.668
where: short stacking energy: -731.368
Base-Backbone interact. energy: -5.321
local terms energy: -797.400467
where:
bonds (distance) C4'-P energy: -137.053
bonds (distance) P-C4' energy: -151.889
flat angles C4'-P-C4' energy: -186.658
flat angles P-C4'-P energy: -107.420
tors. eta vs tors. theta energy: -214.381
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: 5
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -2510.330607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2510.330607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2510.330607 (E_RNA)
where:
Base-Base interactions energy: -1721.524
where: short stacking energy: -740.925
Base-Backbone interact. energy: -0.165
local terms energy: -788.641351
where:
bonds (distance) C4'-P energy: -132.153
bonds (distance) P-C4' energy: -150.864
flat angles C4'-P-C4' energy: -158.456
flat angles P-C4'-P energy: -113.019
tors. eta vs tors. theta energy: -234.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -2341.621240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2341.621240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2341.621240 (E_RNA)
where:
Base-Base interactions energy: -1596.443
where: short stacking energy: -684.634
Base-Backbone interact. energy: -4.605
local terms energy: -740.573868
where:
bonds (distance) C4'-P energy: -154.761
bonds (distance) P-C4' energy: -130.190
flat angles C4'-P-C4' energy: -150.579
flat angles P-C4'-P energy: -100.784
tors. eta vs tors. theta energy: -204.261
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: 5, replica: 10
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -2022.872571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.872571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.872571 (E_RNA)
where:
Base-Base interactions energy: -1372.528
where: short stacking energy: -566.363
Base-Backbone interact. energy: -2.182
local terms energy: -648.162850
where:
bonds (distance) C4'-P energy: -118.604
bonds (distance) P-C4' energy: -140.152
flat angles C4'-P-C4' energy: -147.587
flat angles P-C4'-P energy: -84.089
tors. eta vs tors. theta energy: -157.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1826.283469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.283469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.283469 (E_RNA)
where:
Base-Base interactions energy: -1208.954
where: short stacking energy: -514.073
Base-Backbone interact. energy: -4.081
local terms energy: -613.248707
where:
bonds (distance) C4'-P energy: -119.106
bonds (distance) P-C4' energy: -151.909
flat angles C4'-P-C4' energy: -141.157
flat angles P-C4'-P energy: -77.495
tors. eta vs tors. theta energy: -123.582
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: 6
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1672.904031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.904031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.904031 (E_RNA)
where:
Base-Base interactions energy: -1069.462
where: short stacking energy: -494.088
Base-Backbone interact. energy: -3.725
local terms energy: -599.717614
where:
bonds (distance) C4'-P energy: -130.994
bonds (distance) P-C4' energy: -117.076
flat angles C4'-P-C4' energy: -145.340
flat angles P-C4'-P energy: -86.629
tors. eta vs tors. theta energy: -119.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1276.800083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.800083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.800083 (E_RNA)
where:
Base-Base interactions energy: -731.160
where: short stacking energy: -376.117
Base-Backbone interact. energy: -0.638
local terms energy: -545.002576
where:
bonds (distance) C4'-P energy: -130.089
bonds (distance) P-C4' energy: -123.083
flat angles C4'-P-C4' energy: -131.876
flat angles P-C4'-P energy: -85.794
tors. eta vs tors. theta energy: -74.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1129.431651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.431651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.431651 (E_RNA)
where:
Base-Base interactions energy: -686.742
where: short stacking energy: -316.762
Base-Backbone interact. energy: -3.143
local terms energy: -439.547163
where:
bonds (distance) C4'-P energy: -112.885
bonds (distance) P-C4' energy: -129.375
flat angles C4'-P-C4' energy: -97.747
flat angles P-C4'-P energy: -64.651
tors. eta vs tors. theta energy: -34.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -664.123696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.123696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.123696 (E_RNA)
where:
Base-Base interactions energy: -292.775
where: short stacking energy: -187.014
Base-Backbone interact. energy: -0.574
local terms energy: -370.774108
where:
bonds (distance) C4'-P energy: -124.699
bonds (distance) P-C4' energy: -118.309
flat angles C4'-P-C4' energy: -98.551
flat angles P-C4'-P energy: -47.980
tors. eta vs tors. theta energy: 18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -2659.078991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2659.078991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2659.078991 (E_RNA)
where:
Base-Base interactions energy: -1821.289
where: short stacking energy: -759.068
Base-Backbone interact. energy: 4.718
local terms energy: -842.508094
where:
bonds (distance) C4'-P energy: -169.567
bonds (distance) P-C4' energy: -159.346
flat angles C4'-P-C4' energy: -177.005
flat angles P-C4'-P energy: -111.825
tors. eta vs tors. theta energy: -224.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -2588.978193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2588.978193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2588.978193 (E_RNA)
where:
Base-Base interactions energy: -1774.215
where: short stacking energy: -751.225
Base-Backbone interact. energy: -2.341
local terms energy: -812.421983
where:
bonds (distance) C4'-P energy: -162.236
bonds (distance) P-C4' energy: -160.958
flat angles C4'-P-C4' energy: -164.272
flat angles P-C4'-P energy: -107.436
tors. eta vs tors. theta energy: -217.520
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: 3, replica: 5
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -2542.979197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2542.979197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2542.979197 (E_RNA)
where:
Base-Base interactions energy: -1789.684
where: short stacking energy: -755.796
Base-Backbone interact. energy: -2.850
local terms energy: -750.444592
where:
bonds (distance) C4'-P energy: -124.235
bonds (distance) P-C4' energy: -133.356
flat angles C4'-P-C4' energy: -165.841
flat angles P-C4'-P energy: -100.784
tors. eta vs tors. theta energy: -226.229
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: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -2304.432005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2304.432005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2304.432005 (E_RNA)
where:
Base-Base interactions energy: -1582.532
where: short stacking energy: -646.257
Base-Backbone interact. energy: 5.997
local terms energy: -727.896862
where:
bonds (distance) C4'-P energy: -141.146
bonds (distance) P-C4' energy: -146.762
flat angles C4'-P-C4' energy: -163.884
flat angles P-C4'-P energy: -101.024
tors. eta vs tors. theta energy: -175.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -2054.953508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.953508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.953508 (E_RNA)
where:
Base-Base interactions energy: -1376.591
where: short stacking energy: -571.156
Base-Backbone interact. energy: -3.166
local terms energy: -675.197131
where:
bonds (distance) C4'-P energy: -145.331
bonds (distance) P-C4' energy: -142.087
flat angles C4'-P-C4' energy: -141.357
flat angles P-C4'-P energy: -89.620
tors. eta vs tors. theta energy: -156.802
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: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1887.631694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.631694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.631694 (E_RNA)
where:
Base-Base interactions energy: -1248.613
where: short stacking energy: -528.444
Base-Backbone interact. energy: -3.863
local terms energy: -635.155134
where:
bonds (distance) C4'-P energy: -120.189
bonds (distance) P-C4' energy: -127.331
flat angles C4'-P-C4' energy: -162.471
flat angles P-C4'-P energy: -91.216
tors. eta vs tors. theta energy: -133.948
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: 6
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1777.964238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.964238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.964238 (E_RNA)
where:
Base-Base interactions energy: -1135.507
where: short stacking energy: -509.097
Base-Backbone interact. energy: 0.173
local terms energy: -642.630060
where:
bonds (distance) C4'-P energy: -128.198
bonds (distance) P-C4' energy: -151.112
flat angles C4'-P-C4' energy: -141.012
flat angles P-C4'-P energy: -87.548
tors. eta vs tors. theta energy: -134.760
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: 7
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1235.352912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.352912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.352912 (E_RNA)
where:
Base-Base interactions energy: -713.898
where: short stacking energy: -350.357
Base-Backbone interact. energy: -4.520
local terms energy: -516.934629
where:
bonds (distance) C4'-P energy: -120.883
bonds (distance) P-C4' energy: -132.170
flat angles C4'-P-C4' energy: -121.121
flat angles P-C4'-P energy: -83.864
tors. eta vs tors. theta energy: -58.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1117.352091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.352091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.352091 (E_RNA)
where:
Base-Base interactions energy: -648.223
where: short stacking energy: -333.428
Base-Backbone interact. energy: 0.870
local terms energy: -469.998832
where:
bonds (distance) C4'-P energy: -123.047
bonds (distance) P-C4' energy: -130.137
flat angles C4'-P-C4' energy: -111.186
flat angles P-C4'-P energy: -66.183
tors. eta vs tors. theta energy: -39.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -649.423704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.423704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.423704 (E_RNA)
where:
Base-Base interactions energy: -240.013
where: short stacking energy: -144.934
Base-Backbone interact. energy: -2.231
local terms energy: -407.179577
where:
bonds (distance) C4'-P energy: -126.907
bonds (distance) P-C4' energy: -124.381
flat angles C4'-P-C4' energy: -124.179
flat angles P-C4'-P energy: -64.582
tors. eta vs tors. theta energy: 32.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 117795583
moves confirmed later: 127294570
all moves confirmed: 245090153
percent of confirmed moves: 30.636269
current total energy: -2461.935704
recalc. total energy: -2461.935704
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 139372313
moves confirmed later: 155000904
all moves confirmed: 294373217
percent of confirmed moves: 36.796652
current total energy: -2491.568628
recalc. total energy: -2491.568628
replica 5 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 141562140
moves confirmed later: 157777810
all moves confirmed: 299339950
percent of confirmed moves: 37.417494
current total energy: -2470.813286
recalc. total energy: -2470.813286
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 132035500
moves confirmed later: 144959224
all moves confirmed: 276994724
percent of confirmed moves: 34.624341
current total energy: -2211.797096
recalc. total energy: -2211.797096
replica 10 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 187836333
moves confirmed later: 217876992
all moves confirmed: 405713325
percent of confirmed moves: 50.714166
current total energy: -1879.790811
recalc. total energy: -1879.790811
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 150892572
moves confirmed later: 170184144
all moves confirmed: 321076716
percent of confirmed moves: 40.134589
current total energy: -1712.329613
recalc. total energy: -1712.329613
replica 6 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 245499704
moves confirmed later: 293130284
all moves confirmed: 538629988
percent of confirmed moves: 67.328749
current total energy: -1524.609438
recalc. total energy: -1524.609438
replica 7 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 250807490
moves confirmed later: 300162079
all moves confirmed: 550969569
percent of confirmed moves: 68.871196
current total energy: -1032.150644
recalc. total energy: -1032.150644
replica 4 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 179142264
moves confirmed later: 206058333
all moves confirmed: 385200597
percent of confirmed moves: 48.150075
current total energy: -977.697159
recalc. total energy: -977.697159
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 295529267
moves confirmed later: 357555231
all moves confirmed: 653084498
percent of confirmed moves: 81.635562
current total energy: -470.225120
recalc. total energy: -470.225120
out arg RESULTS//1/R1212-019bfcef_01
Time of doing 8000000 iterations: 54631.380 seconds